data_2gd7_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 2gd7 _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 ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 N--CA 1.502 2.16 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' B' ' 27' ' ' LEU . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.573 HD22 ' CG ' ' B' ' 53' ' ' ASN . 1.1 m-80 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.443 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt . . . . . 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.476 ' C ' HD21 ' B' ' 29' ' ' ASN . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.434 ' HB3' HG12 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.534 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.476 HD21 ' C ' ' B' ' 25' ' ' GLU . 33.1 m-80 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.533 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.438 ' CD ' ' HZ1' ' B' ' 37' ' ' LYS . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 27' ' ' LEU . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.438 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' B' ' 39' ' ' TYR . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.487 ' NZ ' ' OG ' ' B' ' 47' ' ' SER . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.582 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.582 ' ND2' ' O ' ' B' ' 49' ' ' MET . 3.7 m-80 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' B' ' 55' ' ' ARG . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 60' ' ' SER . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 59' ' ' GLU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.459 ' HE ' ' C ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.498 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.498 HE21 ' C ' ' B' ' 82' ' ' ALA . 29.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.479 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' B' ' 27' ' ' LEU . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' HH ' ' B' ' 39' ' ' TYR . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' HH ' ' CG ' ' B' ' 38' ' ' GLU . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.684 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 49' ' ' MET . 1.9 m-80 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.454 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 24' ' ' THR . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.401 ' HG ' ' CD ' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' CD ' ' HG ' ' B' ' 31' ' ' SER . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 27' ' ' LEU . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.461 ' CG ' ' HH ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.473 ' HH ' ' HG3' ' A' ' 38' ' ' GLU . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.684 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.646 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' B' ' 49' ' ' MET . 1.4 m-80 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.469 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.43 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' B' ' 83' ' ' GLU . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.443 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 24' ' ' THR . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.518 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.544 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' THR . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.555 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.474 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.461 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.425 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.425 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 69' ' ' ARG . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.428 ' O ' ' NH2' ' B' ' 79' ' ' ARG . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.44 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.464 HG23 ' NE2' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' THR . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' CG ' HD12 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 32' ' ' LYS . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 10.5 m-80 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.465 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt . . . . . 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.451 HG23 ' NE2' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 24' ' ' THR . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' B' ' 24' ' ' THR . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.423 ' HE1' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' B' ' 33' ' ' GLN . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.423 ' CD2' ' HE1' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' B' ' 32' ' ' LYS . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' B' ' 63' ' ' LEU . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.58 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.476 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.58 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.476 ' CD ' HH11 ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 6.2 t-80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.706 0.765 . . . . 0.0 109.034 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' THR . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.475 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CG ' ' HH ' ' B' ' 39' ' ' TYR . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HH ' ' HG3' ' B' ' 38' ' ' GLU . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' CD ' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 49' ' ' MET . 13.5 m-80 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ARG . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' B' ' 25' ' ' GLU . 5.5 t-80 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.92 0.867 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' B' ' 23' ' ' HIS . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.437 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.475 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' B' ' 34' ' ' GLU . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' NE2' ' B' ' 33' ' ' GLN . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.46 ' HG3' ' HH ' ' A' ' 39' ' ' TYR . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.483 ' HH ' ' CG ' ' A' ' 38' ' ' GLU . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.433 ' ND2' HD22 ' A' ' 53' ' ' ASN . 7.3 m-80 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 55' ' ' ARG . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.43 ' NH1' ' CD ' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 69' ' ' ARG . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.585 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.585 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.543 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.404 ' H ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 32' ' ' LYS . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' HH ' ' B' ' 39' ' ' TYR . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' B' ' 63' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.953 0.406 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.531 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 24' ' ' THR . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.422 ' O ' ' CE ' ' A' ' 32' ' ' LYS . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.435 ' CG ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.435 HD11 ' CG ' ' B' ' 32' ' ' LYS . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.498 ' HG3' ' HH ' ' A' ' 39' ' ' TYR . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.492 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.492 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' B' ' 69' ' ' ARG . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.45 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.45 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.406 HD23 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.462 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.462 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 N--CA 1.507 2.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 36' ' ' ILE . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 24' ' ' THR . 4.3 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' B' ' 27' ' ' LEU . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.506 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.562 HD22 ' ND2' ' B' ' 53' ' ' ASN . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 N--CA 1.504 2.244 0 CA-C-O 120.755 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.512 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 4.0 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.474 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 27' ' ' LEU . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.485 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 47' ' ' SER . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.562 ' ND2' HD22 ' A' ' 53' ' ' ASN . 9.8 m-80 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.422 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.537 ' CZ ' ' HB2' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.527 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.431 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.527 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.431 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 . . . . . 0 N--CA 1.505 2.277 0 CA-C-O 121.379 0.609 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.552 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.2 mp0 -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' B' ' 27' ' ' LEU . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' CG ' ' HH ' ' B' ' 39' ' ' TYR . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.7 m-80 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' LEU . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' ARG . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt . . . . . 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 121.514 0.674 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.518 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 24' ' ' THR . 1.7 mp0 -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.44 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' A' ' 27' ' ' LEU . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.447 ' CG ' ' HH ' ' A' ' 39' ' ' TYR . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.541 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.543 HD22 ' CG ' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 69' ' ' ARG . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.458 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 83' ' ' GLU . 30.7 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.543 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 24' ' ' THR . 1.5 mp0 -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 27' ' ' LEU . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.639 HD12 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.631 ' SD ' HD12 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.436 ' HG2' ' HE3' ' B' ' 49' ' ' MET . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.565 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.519 HD22 ' ND2' ' B' ' 53' ' ' ASN . 10.8 m-80 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.565 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.509 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 24' ' ' THR . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 24' ' ' THR . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 24' ' ' THR . 1.5 mp0 -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.406 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.631 HD12 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.639 ' SD ' HD12 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.664 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 53' ' ' ASN . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.664 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' B' ' 53' ' ' ASN . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 66' ' ' ASP . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.466 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.466 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.414 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.559 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.2 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.449 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' B' ' 27' ' ' LEU . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.619 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.629 ' ND2' HD22 ' B' ' 53' ' ' ASN . 5.9 m-80 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' LEU . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 56' ' ' LEU . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . 0.424 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.9 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' B' ' 26' ' ' SER . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.417 HG12 ' HB3' ' A' ' 27' ' ' LEU . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.643 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.473 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' B' ' 49' ' ' MET . 4.1 m-80 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' LEU . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 69' ' ' ARG . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.414 0.626 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.548 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 24' ' ' THR . 4.7 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.452 ' CD ' ' HG ' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD1' HD23 ' B' ' 46' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.612 HD22 ' ND2' ' B' ' 53' ' ' ASN . 1.0 OUTLIER -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ARG . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' SER . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 62' ' ' ARG . 1.3 mt . . . . . 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.458 0.647 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 3.7 mp0 -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.565 ' HG ' ' CD ' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.565 ' CD ' ' HG ' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.573 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.612 ' ND2' HD22 ' A' ' 53' ' ' ASN . 6.6 m-80 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 62' ' ' ARG . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.586 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' B' ' 67' ' ' ASP . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 67' ' ' ASP . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 69' ' ' ARG . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.472 HG23 ' NE2' ' A' ' 28' ' ' GLN . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 24' ' ' THR . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 28' ' ' GLN . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.662 HD12 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 1.9 m-80 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' ARG . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.566 ' CG2' HE22 ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.423 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.566 HE22 ' CG2' ' B' ' 24' ' ' THR . 1.4 mp0 -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.649 HD12 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.662 ' SD ' HD12 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.404 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' B' ' 49' ' ' MET . 1.5 m-80 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 71' ' ' ARG . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' B' ' 67' ' ' ASP . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.575 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.462 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 ' HG2' ' A' ' 32' ' ' LYS . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.432 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.432 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.586 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.604 ' ND2' HD22 ' B' ' 53' ' ' ASN . 4.7 m-80 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.484 HG21 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.6 mm-40 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.453 ' HG ' ' CG ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.453 ' CG ' ' HG ' ' B' ' 31' ' ' SER . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' B' ' 32' ' ' LYS . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.462 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . 0.424 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.424 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.604 HD22 ' ND2' ' A' ' 53' ' ' ASN . 2.8 m-80 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.468 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 . . . . . 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.453 HG21 ' NE2' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.496 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.651 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.571 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.586 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 61' ' ' LYS . 10.6 mt . . . . . 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.466 HG21 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.466 ' NE2' HG21 ' B' ' 24' ' ' THR . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 28' ' ' GLN . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.446 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.572 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.586 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.5 m-80 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.572 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.651 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LYS . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' B' ' 67' ' ' ASP . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.581 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.581 ' CD ' HH21 ' B' ' 69' ' ' ARG . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 HG21 ' NE2' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' B' ' 36' ' ' ILE . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.661 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.588 HD22 ' ND2' ' B' ' 53' ' ' ASN . 10.2 m-80 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.444 HG21 ' NE2' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.496 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.499 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' B' ' 27' ' ' LEU . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 27' ' ' LEU . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.661 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 47' ' ' SER . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 53' ' ' ASN . 11.2 m-80 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.493 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' B' ' 61' ' ' LYS . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 . . . . . 0 N--CA 1.518 2.944 0 CA-C-O 120.483 0.183 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.513 HG22 ' NE2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.512 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.512 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.461 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.554 ' ND2' HD22 ' B' ' 53' ' ' ASN . 14.1 m-80 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.613 ' NE ' ' HA ' ' A' ' 57' ' ' ARG . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . 0.416 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 . . . . . 0 N--CA 1.517 2.914 0 CA-C-O 120.513 0.197 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.517 HG22 ' NE2' ' B' ' 28' ' ' GLN . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.507 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.507 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' B' ' 23' ' ' HIS . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.517 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.509 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.554 HD22 ' ND2' ' A' ' 53' ' ' ASN . 11.1 m-80 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.434 ' CD2' ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.603 ' NE ' ' HA ' ' B' ' 57' ' ' ARG . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.415 ' CG ' ' HE ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.476 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.476 HH22 ' CD ' ' B' ' 76' ' ' GLU . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' B' ' 86' ' ' GLN . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 82' ' ' ALA . 1.3 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.53 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 24' ' ' THR . 1.5 mp0 -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 27' ' ' LEU . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HE3' ' B' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HE2' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 14.7 m-80 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.555 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.555 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt . . . . . 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.4 mp0 -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.486 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.402 ' HZ2' ' C ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.422 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.553 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.553 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.547 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 11.7 m-80 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.543 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' B' ' 64' ' ' GLY . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 69' ' ' ARG . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.526 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.526 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.415 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.533 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLU . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' HH12 ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.494 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' B' ' 25' ' ' GLU . 7.3 t60 . . . . . 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.512 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.526 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 25' ' ' GLU . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 27' ' ' LEU . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 49' ' ' MET . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' B' ' 56' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 55' ' ' ARG . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.511 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.401 HH21 ' CG ' ' B' ' 67' ' ' ASP . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.529 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.5 mp0 -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.435 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' B' ' 27' ' ' LEU . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.618 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' CD ' HH11 ' B' ' 57' ' ' ARG . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.6 m-80 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' LEU . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ARG . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt . . . . . 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 36' ' ' ILE . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.8 mp0 -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 27' ' ' LEU . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 49' ' ' MET . 2.5 m-80 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.454 HH11 ' CD ' ' A' ' 52' ' ' GLU . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.4 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.446 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.593 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.613 HD22 ' ND2' ' B' ' 53' ' ' ASN . 2.2 m-80 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.506 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt . . . . . 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.492 -1.274 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 24' ' ' THR . 5.6 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.415 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' MET . . . . . 0.608 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.469 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.613 ' ND2' HD22 ' A' ' 53' ' ' ASN . 6.4 m-80 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.469 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.506 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.401 HG21 ' O ' ' B' ' 66' ' ' ASP . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.413 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ARG . . . . . 0.413 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 1 N-CA-C 102.273 -4.331 . . . . 0.0 102.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.26 144.72 19.45 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.302 -1.116 . . . . 0.0 109.473 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -54.79 97.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.08 -68.49 0.09 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' MET . . . 43.34 55.65 5.04 Favored Glycine 0 N--CA 1.508 3.468 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -46.55 137.83 6.4 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.76 -0.847 . . . . 0.0 109.958 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 67.39 3.67 Favored Glycine 0 C--N 1.283 -2.361 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.7 37.94 0.85 Allowed 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.284 -1.127 . . . . 0.0 109.226 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 51.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.139 -0.976 . . . . 0.0 110.47 -177.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -72.57 137.48 46.23 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.633 -1.292 . . . . 0.0 108.412 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.15 166.71 4.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.91 113.32 2.23 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 121.718 -0.614 . . . . 0.0 109.706 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HE ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.16 63.04 1.27 Allowed 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' SER . 28.3 t70 -70.83 -7.86 48.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.349 -0.844 . . . . 0.0 109.37 -176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -59.37 88.11 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 33' ' ' GLN . 4.3 m -102.0 -0.42 33.71 Favored 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.7 mm-40 -62.26 75.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.837 . . . . 0.0 110.063 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -69.91 60.78 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' GLU . 43.5 m-85 -130.14 147.47 51.87 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -126.29 71.12 1.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.761 -0.587 . . . . 0.0 110.607 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.56 ' N ' ' OG1' ' A' ' 24' ' ' THR . 2.7 mpt_? -76.7 134.29 39.27 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 170.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 23.6 m-85 -32.98 -41.78 0.07 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.51 -5.43 49.1 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.076 -1.015 . . . . 0.0 111.916 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' B' ' 27' ' ' LEU . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.573 HD22 ' CG ' ' B' ' 53' ' ' ASN . 1.1 m-80 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt -114.32 162.8 16.14 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -144.03 -109.96 0.7 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.72 86.24 0.08 OUTLIER Glycine 0 N--CA 1.497 2.704 0 N-CA-C 106.107 -2.797 . . . . 0.0 106.107 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.9 -5.23 0.41 Allowed 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.809 -0.818 . . . . 0.0 109.152 -174.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -48.55 -30.4 5.24 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 121.473 -0.767 . . . . 0.0 111.482 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -41.11 58.97 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -47.7 85.21 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 173.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG12 ' CD1' ' B' ' 73' ' ' LEU . 68.9 t -49.02 -54.56 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 13.5 ttm105 -57.38 -47.71 80.95 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.448 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.62 -38.99 79.2 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.249 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 mt -69.07 -39.9 78.81 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CD ' HH12 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -63.53 -43.96 95.6 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 177.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.38 -43.23 99.32 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -47.65 84.97 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.8 mt -59.01 -51.75 68.71 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -29.45 58.4 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.005 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' CG ' HH11 ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.69 -51.2 17.42 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.03 -38.95 80.51 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.073 -1.017 . . . . 0.0 108.54 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -61.74 -34.28 75.55 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -56.77 -52.0 66.72 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 1.5 mp0 -64.78 -48.0 76.08 Favored 'General case' 0 C--O 1.196 -1.735 0 O-C-N 121.257 -0.902 . . . . 0.0 109.111 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -49.07 -49.17 42.87 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.78 -57.0 14.7 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 82' ' ' ALA . 29.5 mt-30 -50.69 -49.02 58.36 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.639 0.733 . . . . 0.0 110.168 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.9 mt -74.62 -49.82 20.17 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.19 -0.944 . . . . 0.0 110.34 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -60.54 -47.6 85.47 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.964 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.99 -48.3 66.17 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.605 -0.685 . . . . 0.0 109.588 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.4 t-20 -53.53 -51.18 63.69 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.513 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 12.7 mt-10 -55.37 -44.11 75.76 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.674 173.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.87 -27.93 67.11 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.015 0.825 . . . . 0.0 109.746 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 101' ' ' PRO . 46.9 t60 -85.94 -34.47 20.88 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 30.9 mtm105 -85.44 -58.96 2.46 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.513 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 33.9 mt-30 -48.24 -71.64 0.06 Allowed 'General case' 0 N--CA 1.505 2.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.607 -172.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.591 ' CD ' ' H ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -69.61 100.03 1.39 Allowed 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.665 0.745 . . . . 0.0 109.346 -174.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.31 156.3 34.77 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.603 HH12 ' C ' ' B' ' 107' ' ' ASP . 14.2 mmm180 45.34 29.08 0.52 Allowed 'General case' 0 N--CA 1.508 2.436 0 CA-C-O 121.012 0.434 . . . . 0.0 110.362 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.556 ' N ' ' CD ' ' A' ' 101' ' ' PRO . . . -126.12 -25.66 0.04 OUTLIER Pre-proline 0 C--N 1.286 -2.176 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -27.19 125.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.315 2.677 . . . . 0.0 113.631 -174.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 101' ' ' PRO . 12.6 mt -24.37 117.83 0.05 OUTLIER 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 59.38 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.59 0.709 . . . . 0.0 110.076 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' LEU . 29.7 mmtp -63.0 167.96 4.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' O ' ' NH1' ' B' ' 99' ' ' ARG . 2.1 m-85 -71.21 56.06 0.21 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -74.91 -48.23 12.21 Favored Glycine 0 C--N 1.29 -2.015 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.537 ' C ' HH12 ' B' ' 99' ' ' ARG . 2.8 p-10 . . . . . 0 C--O 1.196 -1.722 0 O-C-N 121.989 -0.712 . . . . 0.0 109.604 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 1 N-CA-C 102.603 -4.199 . . . . 0.0 102.603 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 156.65 18.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -1.213 . . . . 0.0 108.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.33 80.95 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . 70.44 -68.67 0.2 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -176.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.33 -49.33 0.13 Allowed Glycine 0 N--CA 1.507 3.392 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' B' ' 4' ' ' ALA . 30.8 t70 61.61 139.55 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 C-N-CA 124.267 1.027 . . . . 0.0 111.096 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.9 73.08 2.01 Favored Glycine 0 C--N 1.284 -2.31 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.31 35.18 1.65 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -74.2 54.12 0.53 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.224 -0.923 . . . . 0.0 109.362 -178.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -78.8 140.04 38.29 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.968 -1.082 . . . . 0.0 108.265 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -63.79 163.9 10.93 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.447 0.641 . . . . 0.0 109.932 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.7 112.39 1.6 Allowed 'General case' 0 C--N 1.282 -2.362 0 O-C-N 121.569 -0.707 . . . . 0.0 109.267 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 67.42 2.16 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.82 17.55 1.15 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.246 -0.908 . . . . 0.0 110.319 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -76.55 76.13 3.26 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.242 -0.911 . . . . 0.0 108.612 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.461 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -82.54 0.1 44.22 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.644 -0.66 . . . . 0.0 110.964 -178.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 14.6 mm-40 -66.01 71.3 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.319 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.2 OUTLIER -68.85 55.77 0.09 Allowed 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' B' ' 17' ' ' GLU . 35.7 m-85 -127.8 147.32 50.42 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -123.74 72.71 1.16 Allowed 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 120.997 0.427 . . . . 0.0 110.718 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' B' ' 24' ' ' THR . 3.0 mpt_? -77.78 134.52 38.02 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 103.383 -2.821 . . . . 0.0 103.383 169.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 21' ' ' ARG . 13.8 m-85 -34.74 -38.0 0.07 Allowed 'General case' 0 N--CA 1.509 2.498 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -96.08 -5.65 40.4 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.843 -1.161 . . . . 0.0 111.39 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.476 ' C ' HD21 ' B' ' 29' ' ' ASN . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.434 ' HB3' HG12 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.534 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.476 HD21 ' C ' ' B' ' 25' ' ' GLU . 33.1 m-80 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.533 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 16' ' ' SER . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.438 ' CD ' ' HZ1' ' B' ' 37' ' ' LYS . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 27' ' ' LEU . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.438 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' CZ ' ' A' ' 21' ' ' ARG . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' B' ' 39' ' ' TYR . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.487 ' NZ ' ' OG ' ' B' ' 47' ' ' SER . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.582 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.582 ' ND2' ' O ' ' B' ' 49' ' ' MET . 3.7 m-80 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' B' ' 55' ' ' ARG . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 60' ' ' SER . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 59' ' ' GLU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.459 ' HE ' ' C ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.4 HH12 ' CD ' ' A' ' 74' ' ' GLU . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 70' ' ' VAL . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' B' ' 83' ' ' GLU . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.498 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' B' ' 89' ' ' THR . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.498 HE21 ' C ' ' B' ' 82' ' ' ALA . 29.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.6 mt -76.28 -49.34 17.27 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -45.36 94.59 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.95 -42.88 76.86 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.928 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -69.77 -44.62 69.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.539 -0.725 . . . . 0.0 109.509 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.19 -50.67 70.55 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.47 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 8.8 mt-10 -54.97 -46.06 75.01 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.65 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.06 -26.04 62.01 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.959 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' B' ' 101' ' ' PRO . 35.2 t60 -86.01 -36.97 19.43 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -85.41 -49.22 8.29 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 32.2 mt-30 -58.41 -64.04 1.06 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.54 -0.725 . . . . 0.0 110.413 -171.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -79.63 96.33 6.15 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-O 122.007 0.908 . . . . 0.0 109.313 -175.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 154.45 37.68 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 121.736 -0.602 . . . . 0.0 109.583 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.537 HH12 ' C ' ' A' ' 107' ' ' ASP . 14.0 mmm180 46.42 33.04 1.76 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.552 ' H ' ' CD ' ' B' ' 101' ' ' PRO . . . -131.54 -28.69 0.03 OUTLIER Pre-proline 0 C--N 1.294 -1.837 0 CA-C-O 118.306 -0.854 . . . . 0.0 113.08 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.552 ' CD ' ' H ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -27.8 130.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.894 2.396 . . . . 0.0 113.649 -175.002 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 104' ' ' LYS . 15.7 mt -29.26 116.22 0.11 Allowed 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.53 60.15 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.753 0.787 . . . . 0.0 109.697 -177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' B' ' 102' ' ' LEU . 29.8 mmtp -63.09 166.68 5.66 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.555 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 1.3 m-85 -68.89 53.38 0.09 Allowed 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -75.84 -43.88 21.4 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.603 ' C ' HH12 ' A' ' 99' ' ' ARG . 2.3 p-10 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.68 19.71 0.27 Allowed 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.793 -1.416 . . . . 0.0 111.432 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mtt -81.07 59.08 3.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.11 22.96 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.355 -0.84 . . . . 0.0 109.622 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.22 82.78 0.07 OUTLIER Glycine 0 C--N 1.28 -2.531 0 N-CA-C 108.043 -2.023 . . . . 0.0 108.043 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.3 167.43 21.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.52 -0.988 . . . . 0.0 108.695 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.74 128.5 6.3 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.85 132.88 38.19 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -58.4 151.91 18.92 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -77.53 131.74 38.03 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.114 -0.991 . . . . 0.0 108.561 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.24 97.36 0.02 OUTLIER 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.704 -0.623 . . . . 0.0 110.72 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' NE2' ' B' ' 12' ' ' GLN . 4.2 mt-30 -69.8 141.73 53.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.921 -1.112 . . . . 0.0 108.343 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.98 68.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.453 -0.779 . . . . 0.0 109.377 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -107.2 67.53 0.7 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -113.19 86.09 2.31 Favored 'General case' 0 C--N 1.29 -1.994 0 O-C-N 121.04 -1.038 . . . . 0.0 110.696 -174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 m -107.89 -2.85 19.46 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 1.9 mm-40 -66.79 57.23 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -175.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.93 41.2 0.75 Allowed 'General case' 0 C--N 1.284 -2.242 0 O-C-N 121.131 -0.981 . . . . 0.0 110.511 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.63 140.89 52.07 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -145.88 80.18 1.57 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.764 -0.585 . . . . 0.0 110.413 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HB2' ' HB ' ' A' ' 24' ' ' THR . 74.4 mmt-85 -145.05 126.0 14.47 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 24' ' ' THR . 49.8 p90 -52.82 162.4 0.61 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 62.21 -62.72 0.1 Allowed 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' ARG . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' B' ' 27' ' ' LEU . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' HH ' ' B' ' 39' ' ' TYR . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' HH ' ' CG ' ' B' ' 38' ' ' GLU . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' ' NZ ' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.471 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.684 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 49' ' ' MET . 1.9 m-80 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 6.1 mt -91.7 170.24 10.07 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.77 -143.24 5.02 Favored Glycine 0 C--N 1.271 -3.071 0 N-CA-C 108.472 -1.851 . . . . 0.0 108.472 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.18 61.61 0.03 OUTLIER Glycine 0 C--N 1.272 -3.005 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.46 -6.61 11.2 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.761 -0.846 . . . . 0.0 110.41 -168.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -30.3 1.28 Allowed 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.45 59.44 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -61.01 -43.28 99.12 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.63 -56.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -56.33 -40.67 74.81 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.942 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.22 -44.02 92.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.14 -38.82 86.17 Favored 'General case' 0 C--N 1.285 -2.229 0 C-N-CA 119.623 -0.831 . . . . 0.0 108.912 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.85 -42.56 98.05 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.415 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.47 -42.61 99.6 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -59.96 -41.64 92.34 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' NH2' ' HB2' ' A' ' 82' ' ' ALA . 1.9 tpm_? -60.81 -58.63 7.64 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.28 -43.95 75.22 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.3 -35.83 76.49 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' HB2' ' NH2' ' A' ' 79' ' ' ARG . . . -60.47 -51.3 70.07 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -49.1 78.7 Favored 'General case' 0 C--O 1.19 -2.048 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -52.81 -49.37 65.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.75 -53.64 55.87 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.84 52.32 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.48 -0.763 . . . . 0.0 109.668 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.48 -50.46 71.35 Favored 'General case' 0 C--N 1.282 -2.348 0 O-C-N 121.759 -0.588 . . . . 0.0 110.11 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -47.77 73.12 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.257 -0.902 . . . . 0.0 109.108 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -47.3 81.44 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.787 -1.196 . . . . 0.0 108.702 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.23 -40.49 97.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.339 -0.85 . . . . 0.0 109.131 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.499 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 12.1 t-20 -57.79 -50.07 74.49 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -32.9 74.65 Favored 'General case' 0 C--N 1.28 -2.452 0 O-C-N 121.604 -0.685 . . . . 0.0 109.699 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 14.5 mt -64.04 -55.25 23.55 Favored 'General case' 0 CA--C 1.477 -1.844 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' B' ' 94' ' ' HIS . 73.6 t60 -56.75 -45.56 81.96 Favored 'General case' 0 C--N 1.281 -2.395 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.887 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -60.48 -62.68 1.69 Allowed 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.603 0.716 . . . . 0.0 109.393 -179.453 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' HB2' HE22 ' A' ' 97' ' ' GLN . 21.1 mt-30 -54.25 -32.79 56.96 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 121.589 0.709 . . . . 0.0 109.135 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 2.6 mp0 -95.84 12.83 28.76 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.395 -0.815 . . . . 0.0 109.653 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 106' ' ' GLY . 1.0 OUTLIER -131.01 -52.3 1.04 Allowed 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 95' ' ' ARG . 16.7 mmm180 -72.06 55.33 0.3 Allowed 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -175.47 -65.9 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 120.997 -1.064 . . . . 0.0 110.379 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.584 ' O ' ' N ' ' A' ' 103' ' ' SER . 4.2 Cg_exo -36.03 117.17 0.15 Allowed 'Trans proline' 0 N--CA 1.484 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 113.043 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt 4.1 -58.1 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.544 0 C-N-CA 125.758 1.623 . . . . 0.0 114.194 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 101' ' ' PRO . 1.5 m -154.7 22.6 0.46 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.081 -1.012 . . . . 0.0 109.568 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -78.94 2.58 19.75 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.758 -1.214 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 140.62 21.5 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.5 ' H ' ' CD ' ' A' ' 98' ' ' GLU . . . -52.02 -37.97 46.36 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.188 -2.161 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.498 0 N-CA-C 105.985 -2.846 . . . . 0.0 105.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 53.74 8.92 0.16 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.754 -1.439 . . . . 0.0 111.438 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mtt -72.18 64.51 0.55 Allowed 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.849 -1.157 . . . . 0.0 107.912 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -76.82 -52.77 8.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.518 -0.739 . . . . 0.0 109.415 -175.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.77 73.52 0.07 OUTLIER Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -178.99 1.23 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.943 -0.74 . . . . 0.0 109.242 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.2 128.65 3.93 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.94 132.92 39.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.62 150.73 22.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.209 -0.932 . . . . 0.0 109.911 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -72.52 143.51 48.33 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 108.787 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 11' ' ' LEU . 0.1 OUTLIER -66.53 91.74 0.19 Allowed 'General case' 0 C--N 1.276 -2.6 0 CA-C-O 121.248 0.547 . . . . 0.0 110.539 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' NE2' ' A' ' 12' ' ' GLN . 4.6 mm-40 -64.86 137.67 57.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.97 83.38 0.65 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -123.61 60.54 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -106.75 75.73 1.07 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.104 -0.997 . . . . 0.0 110.604 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.505 ' O ' ' N ' ' B' ' 18' ' ' THR . 2.1 m -92.09 -4.46 54.32 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 172.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' B' ' 17' ' ' GLU . 1.2 mm-40 -65.41 58.28 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.505 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -150.27 36.08 0.66 Allowed 'General case' 0 C--N 1.291 -1.958 0 O-C-N 120.973 -1.079 . . . . 0.0 110.285 -177.164 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -122.03 137.68 54.72 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.111 -0.993 . . . . 0.0 108.553 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.529 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 12.7 mt-10 -146.53 84.72 1.63 Allowed 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 83.4 mmt-85 -148.53 129.67 14.54 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 24' ' ' THR . 46.8 p90 -56.76 162.53 2.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.294 -0.879 . . . . 0.0 108.903 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 61.57 -64.84 0.07 Allowed 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.595 ' N ' ' O ' ' B' ' 22' ' ' TYR . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 24' ' ' THR . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.476 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.401 ' HG ' ' CD ' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' CD ' ' HG ' ' B' ' 31' ' ' SER . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 27' ' ' LEU . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.461 ' CG ' ' HH ' ' A' ' 39' ' ' TYR . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.473 ' HH ' ' HG3' ' A' ' 38' ' ' GLU . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.455 ' O ' ' NZ ' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.684 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.646 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' B' ' 49' ' ' MET . 1.4 m-80 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.469 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.43 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' B' ' 83' ' ' GLU . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.443 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 89' ' ' THR . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.57 -51.81 67.02 Favored 'General case' 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -50.31 68.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -54.63 -47.76 73.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.467 -1.396 . . . . 0.0 108.811 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.11 -40.0 94.4 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.177 -0.952 . . . . 0.0 109.503 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.594 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 13.6 t-20 -61.53 -48.47 80.89 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.413 ' HA ' ' NH1' ' B' ' 95' ' ' ARG . 0.5 OUTLIER -63.84 -35.37 80.41 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.439 ' O ' ' NE2' ' B' ' 97' ' ' GLN . 13.4 mt -64.42 -56.32 15.08 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 74.7 t60 -55.59 -43.89 76.44 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 117.936 -1.506 . . . . 0.0 109.211 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -61.17 -62.45 1.84 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.167 -0.958 . . . . 0.0 108.963 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' B' ' 95' ' ' ARG . 17.4 mt-30 -55.63 -34.26 64.75 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -93.65 11.51 28.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.552 -0.718 . . . . 0.0 109.771 -178.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' B' ' 106' ' ' GLY . 0.9 OUTLIER -128.9 -52.11 1.22 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 17.1 mmm180 -72.44 53.11 0.29 Allowed 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.651 -0.656 . . . . 0.0 110.107 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.444 ' CB ' ' CD ' ' B' ' 101' ' ' PRO . . . -173.26 -63.99 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.177 -0.952 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.63 ' O ' ' N ' ' B' ' 103' ' ' SER . 3.6 Cg_exo -37.13 86.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 124.004 3.136 . . . . 0.0 115.575 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.448 ' C ' ' HG ' ' B' ' 103' ' ' SER . 77.0 mt 40.27 -60.8 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.562 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.63 ' N ' ' O ' ' B' ' 101' ' ' PRO . 1.4 m -159.05 17.4 0.18 Allowed 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.699 -1.251 . . . . 0.0 108.992 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -78.29 6.28 8.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.821 -1.174 . . . . 0.0 109.263 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -57.5 140.23 51.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.473 ' H ' ' CD ' ' B' ' 98' ' ' GLU . . . -52.71 -29.12 32.31 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.178 -2.66 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 176.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 1 N-CA-C 102.3 -4.32 . . . . 0.0 102.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.57 -167.91 1.35 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mmt -139.82 147.09 40.24 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.1 132.34 47.65 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.28 128.98 19.75 Favored Glycine 0 C--N 1.284 -2.343 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.79 -174.15 2.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.254 -1.145 . . . . 0.0 108.038 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' C ' ' HG ' ' A' ' 8' ' ' SER . . . 169.15 141.33 3.19 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.47 ' HG ' ' C ' ' A' ' 7' ' ' GLY . 12.0 m -166.39 159.33 14.59 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.5 138.16 57.78 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -51.99 118.95 3.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -178.86 5.24 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 31.5 mt-30 -120.94 -155.32 0.63 Allowed 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.79 103.08 12.91 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 15' ' ' PHE . 3.7 t0 -77.88 -178.75 5.62 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' SER . 16.2 m-85 31.89 47.24 0.07 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -27.1 -64.42 0.08 Allowed 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.397 0.618 . . . . 0.0 110.037 -175.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.0 mm-40 -123.44 163.62 20.5 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 65.28 0.21 Allowed 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.507 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.8 m-85 -150.32 152.11 33.96 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -136.01 63.65 1.59 Allowed 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' HIS . 14.1 mmm180 -97.48 21.84 9.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 1.1 p90 34.39 30.33 0.01 OUTLIER 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 123.919 0.888 . . . . 0.0 112.898 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ARG . 47.3 m80 -122.45 -89.47 0.6 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 24' ' ' THR . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.518 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.544 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt -117.89 138.31 52.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -116.6 -110.27 2.63 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 106.7 -2.56 . . . . 0.0 106.7 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.34 60.48 0.02 OUTLIER Glycine 0 N--CA 1.507 3.414 0 N-CA-C 107.105 -2.398 . . . . 0.0 107.105 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -1.15 9.58 Favored 'General case' 0 C--N 1.271 -2.831 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -171.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -32.52 5.17 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.808 -0.557 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.04 -38.41 64.02 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.582 HH21 ' CD ' ' A' ' 72' ' ' GLU . 1.6 tpm_? -61.77 -47.23 86.08 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -50.57 -55.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -54.54 -44.16 72.6 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.713 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' CD ' HH21 ' A' ' 69' ' ' ARG . 39.5 mt-10 -57.66 -40.99 80.6 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.2 mt -72.86 -34.47 66.77 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.41 -46.11 90.07 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.17 -41.61 97.09 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.98 -45.52 85.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HG ' ' HG ' ' B' ' 77' ' ' LEU . 14.0 mt -56.38 -56.99 14.31 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.3 -0.875 . . . . 0.0 108.794 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' CG ' ' HE ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -55.11 -28.26 51.31 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.124 177.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -44.6 91.05 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 mt -70.99 -36.73 72.6 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HE ' ' CG ' ' A' ' 78' ' ' ASP . 17.6 mtm105 -63.31 -37.9 89.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.55 79.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -48.75 70.57 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.401 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 13.6 m-80 -50.02 -51.69 39.98 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.24 -54.77 39.29 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -54.23 -54.04 45.4 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.608 0.718 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.3 mt -62.61 -48.75 78.04 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -48.55 76.24 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 121.17 -0.957 . . . . 0.0 108.919 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -41.72 77.08 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 118.718 -1.193 . . . . 0.0 109.06 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -67.66 -47.55 69.2 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.143 -0.973 . . . . 0.0 109.314 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -54.64 -49.34 70.76 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 25.2 mt-10 -56.19 -44.76 79.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.694 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.91 -46.03 67.86 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.131 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -67.36 -44.53 78.8 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.905 178.402 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 95' ' ' ARG . 0.1 OUTLIER -70.6 -35.1 72.82 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 23.6 mt-30 -81.35 -49.37 10.77 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 121.452 -0.78 . . . . 0.0 109.298 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -152.9 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 118.743 -1.183 . . . . 0.0 111.652 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 38.47 -104.63 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.192 -0.942 . . . . 0.0 110.937 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.423 ' NH1' ' OXT' ' B' ' 107' ' ' ASP . 1.3 mmt180 -96.79 25.14 5.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.678 -1.264 . . . . 0.0 110.211 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -89.13 -51.58 0.37 Allowed Pre-proline 0 C--N 1.277 -2.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.065 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 12.6 Cg_endo -52.74 48.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 123.761 2.974 . . . . 0.0 113.516 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 100' ' ' ALA . 18.3 mt -150.93 176.82 10.74 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.455 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -67.5 98.91 0.7 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 77.5 0.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 103' ' ' SER . 33.9 m-85 -63.35 -23.54 67.46 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 51.39 43.41 51.84 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.083 -2.007 . . . . 0.0 108.083 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.188 -2.16 0 O-C-N 121.483 -1.01 . . . . 0.0 108.69 -177.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 1 N-CA-C 102.735 -4.146 . . . . 0.0 102.735 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 -171.1 1.76 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.11 136.74 38.57 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.48 139.07 50.47 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.5 130.74 10.54 Favored Glycine 0 C--N 1.29 -2.005 0 N-CA-C 107.859 -2.097 . . . . 0.0 107.859 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.02 -167.06 0.79 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.926 . . . . 0.0 108.855 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.441 ' C ' ' HG ' ' B' ' 8' ' ' SER . . . 162.24 142.59 3.43 Favored Glycine 0 C--N 1.288 -2.085 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.06 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.441 ' HG ' ' C ' ' B' ' 7' ' ' GLY . 66.9 m -166.79 164.74 16.52 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 147.06 51.94 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -59.97 119.5 7.87 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.5 175.21 8.71 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.511 -0.743 . . . . 0.0 109.082 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.48 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 34.2 mt-30 -116.18 -160.09 0.74 Allowed 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -97.83 108.62 21.37 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 121.152 -0.968 . . . . 0.0 108.66 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' B' ' 15' ' ' PHE . 1.8 t0 -85.43 -175.84 5.85 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' B' ' 14' ' ' ASP . 26.9 m-85 33.13 44.97 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.444 ' C ' ' O ' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -24.55 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.815 0.846 . . . . 0.0 110.736 -175.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 19' ' ' TYR . 2.8 mm-40 -123.07 165.51 16.69 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 173.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.11 54.92 0.3 Allowed 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' B' ' 17' ' ' GLU . 8.9 m-85 -140.07 159.7 41.6 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -142.69 62.49 1.41 Allowed 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CG ' ' B' ' 22' ' ' TYR . 13.9 mmm180 -94.74 21.67 7.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.411 ' CG ' ' C ' ' B' ' 21' ' ' ARG . 1.6 p90 35.34 34.74 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.278 1.031 . . . . 0.0 112.281 175.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -127.78 -89.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' THR . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.555 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.474 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.461 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.425 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.407 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.425 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' B' ' 69' ' ' ARG . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.428 ' O ' ' NH2' ' B' ' 79' ' ' ARG . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.407 ' HG ' ' HG ' ' A' ' 77' ' ' LEU . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.44 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.401 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 16.0 mt -72.17 -48.13 45.61 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -65.58 -49.93 66.98 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.318 -0.864 . . . . 0.0 109.578 -179.264 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -43.12 72.4 Favored 'General case' 0 C--N 1.289 -2.035 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.587 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.74 -41.64 74.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -58.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.24 -44.24 75.33 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.23 -47.91 62.24 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.342 -1.343 . . . . 0.0 108.318 178.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.442 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.3 OUTLIER -67.38 -43.23 81.91 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.992 178.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -45.97 69.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.87 -51.53 25.78 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 121.952 -0.467 . . . . 0.0 110.532 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -150.3 -93.3 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.023 -178.495 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 97' ' ' GLN . 3.4 mm-40 38.46 -120.54 0.25 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.226 -0.921 . . . . 0.0 110.116 -177.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -81.81 24.92 0.58 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 119.834 -1.791 . . . . 0.0 111.205 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -86.12 -53.25 0.44 Allowed Pre-proline 0 C--N 1.282 -2.363 0 O-C-N 121.515 -0.741 . . . . 0.0 110.939 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 11.9 Cg_endo -51.05 44.25 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.654 0 C-N-CA 124.292 3.328 . . . . 0.0 114.637 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' B' ' 100' ' ' ALA . 21.7 mt -145.29 -178.74 6.22 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.485 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.5 OUTLIER -68.87 97.38 0.83 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.012 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 68.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.258 -0.901 . . . . 0.0 108.738 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 103' ' ' SER . 38.4 m-85 -53.25 -36.16 60.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.81 47.23 92.27 Favored Glycine 0 C--N 1.293 -1.821 0 N-CA-C 107.637 -2.185 . . . . 0.0 107.637 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.423 ' OXT' ' NH1' ' A' ' 99' ' ' ARG . 18.3 t70 . . . . . 0 C--O 1.187 -2.228 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 1 N-CA-C 101.905 -4.478 . . . . 0.0 101.905 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.04 37.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.239 . . . . 0.0 108.997 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.5 mmm -95.49 155.86 16.56 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.49 -150.05 0.16 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.34 75.39 1.27 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.42 -136.32 0.2 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.418 -1.048 . . . . 0.0 108.805 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.43 154.93 27.53 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 -44.96 0.07 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.384 -1.068 . . . . 0.0 108.411 -177.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 1.4 mp0 -47.78 113.12 0.66 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.435 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -88.49 151.64 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -130.91 155.52 46.62 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' NE2' ' CE1' ' A' ' 15' ' ' PHE . 14.6 mt-30 -93.39 144.63 25.15 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.6 mtm-85 -86.97 33.2 0.66 Allowed 'General case' 0 C--N 1.289 -2.025 0 O-C-N 121.159 -0.963 . . . . 0.0 108.977 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.8 p30 -114.28 -18.15 11.66 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 20.5 m-85 -52.99 84.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -78.93 49.97 0.97 Allowed 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.309 -0.869 . . . . 0.0 109.432 -177.227 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.21 56.48 0.1 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.436 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.41 23.31 1.03 Allowed 'General case' 0 C--N 1.284 -2.241 0 O-C-N 120.711 -1.243 . . . . 0.0 109.016 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' ARG . 13.5 m-85 -120.47 -177.63 3.5 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.79 58.55 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.033 0.92 . . . . 0.0 108.796 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER 47.17 34.71 3.13 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.426 1.108 . . . . 0.0 108.81 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.2 m-30 -33.26 121.45 0.39 Allowed 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.274 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.34 -24.85 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.464 HG23 ' NE2' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' THR . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HZ3' ' CD ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 32' ' ' LYS . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 10.5 m-80 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.465 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt -117.73 173.31 6.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -155.65 -118.02 0.6 Allowed Glycine 0 C--N 1.276 -2.79 0 N-CA-C 106.358 -2.697 . . . . 0.0 106.358 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.19 77.41 0.02 OUTLIER Glycine 1 N--CA 1.519 4.179 0 C-N-CA 117.489 -2.291 . . . . 0.0 112.382 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -166.06 4.75 0.03 OUTLIER 'General case' 0 C--N 1.27 -2.851 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -47.4 -37.58 11.64 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.876 1.27 . . . . 0.0 110.5 -177.134 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.78 -31.26 64.74 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -62.2 -42.85 99.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' B' ' 66' ' ' ASP . 86.6 t -49.09 -51.22 13.55 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.694 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 74' ' ' GLU . 6.3 tpp180 -55.97 -44.99 79.04 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.899 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.29 -43.6 88.11 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.15 -35.13 77.59 Favored 'General case' 0 C--O 1.193 -1.885 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.037 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' OE1' ' NH1' ' A' ' 71' ' ' ARG . 46.7 mt-10 -60.58 -49.01 79.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.3 -38.47 86.92 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.93 -49.46 70.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.59 -58.12 9.12 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.52 ' CG ' HH21 ' A' ' 81' ' ' ARG . 1.2 m-20 -56.94 -34.24 67.81 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.597 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.427 HH11 ' CD ' ' A' ' 83' ' ' GLU . 3.9 tmm_? -61.52 -47.78 84.04 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.41 -40.53 96.84 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.52 HH21 ' CG ' ' A' ' 78' ' ' ASP . 18.9 mtm105 -62.18 -34.62 76.78 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.9 -53.94 51.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CD ' HH11 ' A' ' 79' ' ' ARG . 0.2 OUTLIER -61.22 -48.23 82.46 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.508 ' ND2' HD22 ' B' ' 84' ' ' ASN . 10.8 m-80 -50.96 -49.46 60.02 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' O ' ' HB ' ' A' ' 89' ' ' THR . 3.1 tp -57.29 -55.43 34.86 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' NE2' ' HG3' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -51.94 -50.85 60.37 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.607 -0.683 . . . . 0.0 109.791 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.7 mt -68.29 -53.33 25.14 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 121.417 -0.802 . . . . 0.0 110.321 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -43.66 88.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 0.0 108.68 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -61.82 -45.19 94.89 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.335 -0.853 . . . . 0.0 108.996 -178.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.0 mt-10 -66.1 -39.14 89.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.888 -1.132 . . . . 0.0 109.273 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.48 -49.17 78.33 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 96' ' ' GLN . 1.8 mt-10 -57.47 -44.52 84.9 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.286 174.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 60.7 mt -54.09 -25.13 20.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.013 -1.054 . . . . 0.0 108.999 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLU . 38.6 t60 -85.29 -62.86 1.43 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.45 -1.3 . . . . 0.0 107.877 171.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.11 -44.16 64.31 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.377 0.608 . . . . 0.0 112.216 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.57 -31.63 62.13 Favored 'General case' 0 C--N 1.284 -2.247 0 O-C-N 121.418 -0.801 . . . . 0.0 109.269 -175.09 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 1.9 mp0 -86.65 -53.86 4.71 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.481 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 2.4 mm-40 34.19 -103.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 122.063 -0.398 . . . . 0.0 110.702 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' NH1' ' OE1' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -73.99 54.84 0.54 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.001 -1.062 . . . . 0.0 108.519 178.476 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.425 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -106.41 -64.29 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.946 0 O-C-N 121.445 -0.785 . . . . 0.0 109.327 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.567 ' C ' ' H ' ' A' ' 103' ' ' SER . 4.2 Cg_exo -35.32 128.24 0.28 Allowed 'Trans proline' 0 N--CA 1.482 0.841 0 C-N-CA 122.878 2.385 . . . . 0.0 112.24 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mt -69.47 22.64 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.196 -0.94 . . . . 0.0 109.532 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.567 ' H ' ' C ' ' A' ' 101' ' ' PRO . 1.1 m -166.58 -171.2 1.81 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.4 mttp 65.05 -64.52 0.17 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.436 -0.79 . . . . 0.0 110.749 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -70.17 -6.02 31.31 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.335 -0.853 . . . . 0.0 110.935 -176.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.81 -21.33 50.91 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.142 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 1 N-CA-C 102.433 -4.267 . . . . 0.0 102.433 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 142.23 54.22 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.927 -1.337 . . . . 0.0 108.936 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.04 149.2 21.65 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.393 -0.817 . . . . 0.0 108.85 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.07 -168.76 2.07 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.63 79.29 1.03 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -98.05 -153.32 0.42 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.44 141.69 10.44 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.226 -1.949 . . . . 0.0 108.226 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -47.84 0.14 Allowed 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.383 -1.069 . . . . 0.0 108.462 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.598 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 1.9 mp0 -51.14 108.02 0.22 Allowed 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.406 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' B' ' 10' ' ' PHE . 1.4 p90 -80.21 156.73 26.77 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.75 159.56 40.21 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.479 ' CD ' ' HZ3' ' A' ' 32' ' ' LYS . 17.4 mt-30 -99.17 147.61 24.94 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -86.67 32.26 0.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.187 -0.946 . . . . 0.0 109.168 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' SER . 12.3 p30 -117.2 -12.38 10.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.691 -0.631 . . . . 0.0 109.323 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.432 ' CE1' ' NE2' ' B' ' 12' ' ' GLN . 17.4 m-85 -57.66 79.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 14' ' ' ASP . 4.4 m -79.85 55.02 1.97 Allowed 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 122.166 0.984 . . . . 0.0 109.254 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.32 46.64 0.27 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.407 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -140.1 35.85 1.92 Allowed 'General case' 0 C--N 1.285 -2.226 0 O-C-N 120.984 -1.073 . . . . 0.0 108.268 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' B' ' 21' ' ' ARG . 16.4 m-85 -128.63 -175.59 3.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.45 55.24 0.06 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.357 -0.84 . . . . 0.0 109.133 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER 51.96 34.72 14.29 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.548 1.165 . . . . 0.0 108.349 -178.201 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -35.59 118.76 0.5 Allowed 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.567 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -52.03 -21.48 3.19 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.451 HG23 ' NE2' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 24' ' ' THR . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' B' ' 24' ' ' THR . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.423 ' HE1' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.49 ' HZ3' ' CD ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' B' ' 33' ' ' GLN . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.423 ' CD2' ' HE1' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' B' ' 32' ' ' LYS . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.465 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' B' ' 63' ' ' LEU . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.458 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 66' ' ' ASP . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.58 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.476 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.58 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.476 ' CD ' HH11 ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.508 HD22 ' ND2' ' A' ' 84' ' ' ASN . 27.1 m-80 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' B' ' 89' ' ' THR . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -75.71 -53.16 8.97 Favored 'General case' 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -45.41 94.75 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.254 -0.904 . . . . 0.0 109.093 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.74 -46.1 77.89 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.006 -1.059 . . . . 0.0 108.562 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' B' ' 89' ' ' THR . 7.8 mt-10 -68.46 -38.88 81.47 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.483 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -59.21 -50.25 74.75 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.64 -44.2 81.06 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.78 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.436 ' HA ' ' NE2' ' B' ' 97' ' ' GLN . 40.6 mt -53.89 -25.55 20.59 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.381 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' B' ' 98' ' ' GLU . 30.5 t60 -85.17 -62.21 1.59 Allowed 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.209 171.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -52.81 -41.32 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.829 -0.544 . . . . 0.0 111.804 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -28.91 50.02 Favored 'General case' 0 C--N 1.281 -2.387 0 O-C-N 121.179 -0.95 . . . . 0.0 108.982 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 2.1 mp0 -90.27 -53.87 4.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 94' ' ' HIS . 2.6 mm-40 34.79 -100.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.028 0.531 . . . . 0.0 110.512 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.456 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -76.72 55.72 1.09 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.005 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.481 ' H ' ' HD2' ' B' ' 101' ' ' PRO . . . -105.17 -62.69 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.244 -0.91 . . . . 0.0 109.668 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' B' ' 103' ' ' SER . 6.3 Cg_exo -37.31 135.86 0.39 Allowed 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 123.233 2.622 . . . . 0.0 111.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.504 ' C ' ' HG ' ' B' ' 103' ' ' SER . 12.0 mt -74.27 22.31 0.09 Allowed 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.161 -0.962 . . . . 0.0 108.997 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.52 ' H ' ' C ' ' B' ' 101' ' ' PRO . 21.6 m -168.42 -165.55 0.6 Allowed 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mttp 64.87 -58.49 0.25 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.293 -0.879 . . . . 0.0 110.792 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -76.81 -7.07 54.75 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.176 -0.952 . . . . 0.0 110.816 -178.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.07 -37.68 37.19 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 N--CA 1.51 2.54 0 O-C-N 121.49 -1.006 . . . . 0.0 109.145 -178.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.682 1 N-CA-C 102.646 -4.182 . . . . 0.0 102.646 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 146.98 13.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.407 -1.055 . . . . 0.0 108.663 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.7 mtp -72.15 69.71 0.78 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.69 131.72 21.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.776 -0.577 . . . . 0.0 109.59 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.01 69.46 1.04 Allowed Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.8 61.91 0.26 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.393 -1.063 . . . . 0.0 109.191 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' ' HG ' ' A' ' 8' ' ' SER . . . -84.06 149.57 25.41 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HG ' ' C ' ' A' ' 7' ' ' GLY . 2.6 m -162.95 132.9 4.39 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.087 -1.243 . . . . 0.0 108.036 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.86 123.99 23.27 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.198 -0.939 . . . . 0.0 108.649 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -76.2 143.5 41.03 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -56.14 164.73 1.18 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-O 122.247 1.023 . . . . 0.0 111.284 -175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.5 -124.98 0.24 Allowed 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' ASN . 16.1 ttm105 54.79 105.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 15' ' ' PHE . 16.0 t70 -95.64 -165.1 1.24 Allowed 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 169.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 11.8 m-85 -84.69 58.64 5.05 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -70.98 63.44 0.31 Allowed 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.582 -175.343 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . 37.2 mt-10 -69.14 65.5 0.15 Allowed 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' SER . 17.4 m -40.81 95.38 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.744 0.783 . . . . 0.0 110.025 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' ARG . 60.3 t80 -71.63 -166.78 0.22 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 19' ' ' TYR . 33.4 mt-10 -65.54 53.06 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.536 ' NH1' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mmp_? -137.51 149.43 46.78 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.985 -1.072 . . . . 0.0 109.474 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.48 58.44 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.463 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ARG . 6.2 t-80 -69.33 59.94 0.12 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.15 -0.969 . . . . 0.0 109.034 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' THR . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' CD ' ' HE ' ' A' ' 13' ' ' ARG . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CG ' ' HH ' ' B' ' 39' ' ' TYR . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HH ' ' HG3' ' B' ' 38' ' ' GLU . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' CD ' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 49' ' ' MET . 13.5 m-80 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ARG . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 64' ' ' GLY . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -56.73 85.64 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -132.46 -172.78 13.12 Favored Glycine 0 C--N 1.274 -2.885 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -176.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . 131.01 159.82 9.71 Favored Glycine 0 C--N 1.262 -3.58 0 N-CA-C 104.142 -3.583 . . . . 0.0 104.142 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.8 m-20 63.03 -19.54 0.05 Allowed 'General case' 0 N--CA 1.527 3.423 0 CA-C-N 118.589 1.195 . . . . 0.0 110.548 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -48.95 -32.28 8.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.996 -1.065 . . . . 0.0 109.126 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.94 61.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ASP . 5.3 tpp180 -55.13 -43.29 74.0 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.37 -55.38 15.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.564 HH21 ' CD ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -57.52 -41.69 81.34 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 122.089 -0.382 . . . . 0.0 110.039 -178.323 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.04 -40.39 93.45 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.109 -0.994 . . . . 0.0 108.501 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.56 -37.68 80.11 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.908 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.564 ' CD ' HH21 ' A' ' 71' ' ' ARG . 39.8 mt-10 -58.11 -46.85 84.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 79' ' ' ARG . 10.2 tp10 -67.74 -41.14 83.89 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.27 -41.64 97.28 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.39 -41.01 79.42 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 76' ' ' GLU . 3.8 ttp180 -59.37 -55.7 31.41 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.47 -39.89 94.89 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -59.83 -40.32 88.07 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -61.37 -42.65 99.06 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.44 -56.63 10.04 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 45.7 m-20 -50.41 -46.69 56.48 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.995 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.31 -55.25 37.26 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -56.93 -43.96 81.98 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.315 0.578 . . . . 0.0 109.537 -179.032 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 9.9 mt -72.54 -50.11 27.98 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.18 -0.95 . . . . 0.0 110.301 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -57.84 -49.25 77.32 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -46.93 87.31 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 118.681 -1.208 . . . . 0.0 109.462 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.76 -38.94 90.45 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.892 -1.13 . . . . 0.0 109.563 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.48 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 59.4 t30 -62.75 -48.39 79.4 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 29.4 mt-10 -54.13 -47.43 71.88 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.8 -53.31 58.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.187 -0.946 . . . . 0.0 109.423 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -62.57 -44.21 96.88 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.37 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.48 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -67.96 -46.12 72.31 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.442 -0.786 . . . . 0.0 109.317 -178.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 26.5 mt-30 -76.81 -65.3 0.96 Allowed 'General case' 0 C--N 1.284 -2.273 0 CA-C-O 121.639 0.733 . . . . 0.0 109.628 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.85 100.8 2.7 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -86.73 -166.61 1.61 Allowed 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 173.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.478 HH21 ' CD ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -72.27 47.79 0.17 Allowed 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.217 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -84.01 -61.63 0.29 Allowed Pre-proline 0 C--O 1.197 -1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.875 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -42.8 37.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 0 C-N-CA 125.256 3.971 . . . . 0.0 116.423 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 100' ' ' ALA . 59.7 mt -135.64 8.69 3.34 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 48.13 48.65 18.28 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.55 0.69 . . . . 0.0 110.39 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 99' ' ' ARG . 5.3 mtmm -75.64 147.23 39.68 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.131 -0.981 . . . . 0.0 108.731 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -142.39 157.73 44.47 Favored 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.325 -0.859 . . . . 0.0 108.994 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.43 81.64 0.03 OUTLIER Glycine 0 C--N 1.284 -2.324 0 N-CA-C 106.215 -2.754 . . . . 0.0 106.215 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.055 1 N-CA-C 102.398 -4.281 . . . . 0.0 102.398 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -55.82 147.12 19.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -1.037 . . . . 0.0 108.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 46.8 mtp -71.89 61.41 0.41 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -37.83 132.44 0.93 Allowed 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 121.016 0.436 . . . . 0.0 111.028 -175.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 7' ' ' GLY . . . -70.25 58.56 0.84 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.28 73.89 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 5' ' ' GLY . . . -94.7 158.16 22.58 Favored Glycine 0 C--N 1.287 -2.153 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.9 136.46 3.58 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 121.026 -1.279 . . . . 0.0 108.285 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.4 117.2 22.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.15 -0.969 . . . . 0.0 108.699 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -65.99 145.49 55.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.48 166.61 0.61 Allowed 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 122.107 0.956 . . . . 0.0 110.874 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.58 -134.79 0.25 Allowed 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 29' ' ' ASN . 21.6 ttm105 61.76 111.8 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.499 0.666 . . . . 0.0 112.256 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' B' ' 16' ' ' SER . 11.6 t0 -104.45 -172.82 2.17 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -75.6 55.64 0.85 Allowed 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 18' ' ' THR . 0.8 OUTLIER -67.16 56.95 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.097 -176.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' B' ' 19' ' ' TYR . 40.9 mt-10 -67.0 64.9 0.06 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' SER . 25.5 m -40.6 93.36 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.359 0.599 . . . . 0.0 110.669 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.588 ' O ' ' N ' ' B' ' 21' ' ' ARG . 61.9 t80 -68.95 -168.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' B' ' 19' ' ' TYR . 30.5 mt-10 -63.49 55.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' B' ' 19' ' ' TYR . 2.4 mmp_? -138.91 153.15 48.23 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.353 -0.842 . . . . 0.0 109.331 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' B' ' 24' ' ' THR . 0.1 OUTLIER -72.02 54.72 0.28 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' B' ' 25' ' ' GLU . 5.5 t-80 -65.54 66.7 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.246 -0.909 . . . . 0.0 109.088 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 22' ' ' TYR . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' B' ' 23' ' ' HIS . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.437 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' ARG . 19.9 m-80 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.475 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' B' ' 34' ' ' GLU . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' CD ' ' HE ' ' B' ' 13' ' ' ARG . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.46 ' HG3' ' HH ' ' A' ' 39' ' ' TYR . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.483 ' HH ' ' CG ' ' A' ' 38' ' ' GLU . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.433 ' ND2' HD22 ' A' ' 53' ' ' ASN . 7.3 m-80 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 55' ' ' ARG . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.43 ' NH1' ' CD ' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 69' ' ' ARG . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.459 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.459 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.585 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.585 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 12.1 mt -72.15 -51.21 22.38 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.13 -51.3 70.27 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -45.17 77.45 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.571 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -68.94 -41.48 77.98 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.383 -0.823 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.463 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 65.3 t30 -57.84 -49.15 77.63 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.488 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 24.6 mt-10 -55.91 -47.19 77.92 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.28 -51.12 69.36 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.278 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.406 ' HA ' ' CG ' ' B' ' 98' ' ' GLU . 25.7 t60 -64.88 -41.67 95.45 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.134 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.463 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -70.11 -47.77 60.4 Favored 'General case' 0 C--N 1.287 -2.118 0 O-C-N 121.5 -0.75 . . . . 0.0 109.333 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.488 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 29.1 mt-30 -73.47 -66.95 0.63 Allowed 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.17 102.34 3.08 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.823 -0.548 . . . . 0.0 109.554 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CD ' HH21 ' B' ' 99' ' ' ARG . 0.0 OUTLIER -86.98 -166.33 1.54 Allowed 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 173.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.51 HH21 ' CD ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -72.77 52.36 0.3 Allowed 'General case' 0 C--N 1.283 -2.314 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 175.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.557 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -88.21 -63.79 0.21 Allowed Pre-proline 0 C--N 1.293 -1.853 0 O-C-N 121.624 -0.672 . . . . 0.0 109.704 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 2.1 Cg_endo -42.86 32.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.516 2.809 0 C-N-CA 124.939 3.759 . . . . 0.0 116.668 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 100' ' ' ALA . 76.9 mt -127.55 10.44 6.67 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.32 49.03 13.25 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.667 0.746 . . . . 0.0 109.772 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -77.43 153.69 33.35 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 75.5 t80 -145.44 168.22 21.08 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 141.86 70.83 0.03 OUTLIER Glycine 0 C--N 1.279 -2.597 0 N-CA-C 106.683 -2.567 . . . . 0.0 106.683 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.917 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 3' ' ' MET . . . . . . . . 0 CA--C 1.537 1.462 1 N-CA-C 102.739 -4.144 . . . . 0.0 102.739 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 77.84 0.41 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.696 -1.473 . . . . 0.0 108.862 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -69.03 55.45 0.09 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.306 -0.871 . . . . 0.0 109.264 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.44 133.47 52.58 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.112 -0.992 . . . . 0.0 110.161 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' ASP . . . -92.52 -13.63 56.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 6.4 p-10 12.39 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 C-N-CA 124.149 0.98 . . . . 0.0 113.183 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.565 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 69.3 -72.48 0.44 Allowed Glycine 0 C--N 1.294 -1.782 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m 53.16 54.55 10.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.606 -0.937 . . . . 0.0 108.514 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 94.7 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.713 -0.617 . . . . 0.0 110.008 -177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.16 152.43 41.19 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' ARG . 4.1 mp -114.47 125.1 53.44 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.373 -0.829 . . . . 0.0 109.504 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.51 52.31 0.1 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.3 116.65 12.71 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 178.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' SER . 8.6 t70 -95.55 126.73 41.04 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -71.42 55.68 0.23 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 121.199 -0.938 . . . . 0.0 109.01 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -82.56 166.68 19.05 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.201 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.07 109.16 10.96 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -105.28 -159.18 0.7 Allowed 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -98.5 128.34 44.81 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mp0 -99.42 63.43 1.27 Allowed 'General case' 0 C--N 1.259 -3.328 0 CA-C-O 121.955 0.884 . . . . 0.0 108.721 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 20' ' ' GLU . 2.0 mmm180 -125.61 118.98 26.86 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.47 -51.06 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 122.856 0.463 . . . . 0.0 111.067 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' ARG . 49.2 m80 -44.67 102.57 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.533 -0.729 . . . . 0.0 110.225 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.543 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.404 ' H ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 32' ' ' LYS . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' HH ' ' B' ' 39' ' ' TYR . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' B' ' 63' ' ' LEU . 9.3 mt -71.24 49.67 0.15 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 62' ' ' ARG . . . -132.06 110.54 0.96 Allowed Glycine 0 C--N 1.278 -2.673 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -150.47 157.48 27.22 Favored Glycine 0 C--N 1.27 -3.139 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER 69.13 -16.01 0.25 Allowed 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 118.209 1.004 . . . . 0.0 110.261 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.2 p30 -49.86 -31.34 11.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.46 -0.775 . . . . 0.0 108.946 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.62 -34.98 53.14 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -67.67 -46.49 72.21 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.55 -58.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.89 -44.02 81.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.55 -40.52 91.87 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.429 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 HD23 ' NH2' ' A' ' 69' ' ' ARG . 59.6 mt -67.23 -41.17 86.13 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.587 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.833 -1.167 . . . . 0.0 108.326 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' OE2' ' NH1' ' A' ' 79' ' ' ARG . 4.8 tp10 -60.4 -41.21 93.39 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.59 -50.88 69.53 Favored 'General case' 0 C--O 1.193 -1.87 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.415 ' OD1' ' NH1' ' A' ' 81' ' ' ARG . 11.3 m-20 -58.75 -38.05 77.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' NH1' ' OE2' ' A' ' 76' ' ' GLU . 28.3 ttm180 -58.45 -56.7 18.69 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.19 -39.02 77.86 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH1' ' OD1' ' A' ' 78' ' ' ASP . 21.0 mtp-105 -60.82 -37.45 82.03 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -52.76 64.08 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.55 -48.82 80.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' ND2' HD22 ' B' ' 84' ' ' ASN . 25.0 m-80 -52.68 -49.51 65.14 Favored 'General case' 0 C--O 1.194 -1.857 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.51 -53.89 53.0 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -50.38 59.32 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.188 0.518 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.4 -51.03 26.23 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.252 -0.905 . . . . 0.0 110.553 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -48.48 81.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 108.964 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -42.97 75.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.46 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -41.48 98.3 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.28 -50.41 73.7 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 34.4 mt-10 -57.17 -43.78 82.9 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.022 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 99' ' ' ARG . 3.2 mt -63.3 -56.09 19.36 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.789 -1.194 . . . . 0.0 108.898 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.0 -34.26 63.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -46.06 27.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 33.1 mt-30 -85.3 -66.56 0.88 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 112.292 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.9 -174.71 3.12 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.434 -0.791 . . . . 0.0 109.278 -173.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.73 -171.69 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.634 -0.666 . . . . 0.0 109.305 178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 46.96 38.51 6.3 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -142.07 -60.47 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.956 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 11.9 Cg_endo -56.14 42.79 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.37 2.713 . . . . 0.0 112.448 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -142.51 16.1 2.01 Favored 'General case' 0 C--N 1.281 -2.404 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 1.4 m 63.06 -115.65 0.48 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.369 -0.832 . . . . 0.0 108.787 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER 65.44 -57.95 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 103' ' ' SER . 2.7 m-85 62.08 -46.29 0.16 Allowed 'General case' 0 N--CA 1.512 2.675 0 CA-C-O 121.153 0.502 . . . . 0.0 110.883 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 130.32 -136.88 9.14 Favored Glycine 0 C--N 1.278 -2.674 0 N-CA-C 104.243 -3.543 . . . . 0.0 104.243 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.185 -2.304 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 173.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.478 1.447 1 N-CA-C 102.204 -4.358 . . . . 0.0 102.204 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -67.61 70.35 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.834 -1.392 . . . . 0.0 109.061 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.452 ' N ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -66.89 57.5 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.837 . . . . 0.0 109.142 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -65.78 140.38 58.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.574 -0.704 . . . . 0.0 109.933 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.16 41.83 2.09 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 106.268 -2.733 . . . . 0.0 106.268 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' B' ' 8' ' ' SER . 0.9 OUTLIER -51.29 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.952 -0.734 . . . . 0.0 111.048 -175.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.44 -71.68 0.64 Allowed Glycine 0 C--N 1.283 -2.381 0 N-CA-C 108.515 -1.834 . . . . 0.0 108.515 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.422 ' N ' ' O ' ' B' ' 6' ' ' ASP . 2.5 m 49.27 65.6 1.34 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.34 -1.094 . . . . 0.0 108.744 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.17 95.86 0.19 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.55 -0.719 . . . . 0.0 110.084 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.34 163.42 17.86 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 13' ' ' ARG . 4.7 mp -125.28 123.89 40.45 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 121.146 -0.971 . . . . 0.0 110.055 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -70.42 69.63 0.4 Allowed 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -156.86 119.43 3.98 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 16' ' ' SER . 13.0 t70 -100.39 125.92 46.7 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -69.02 50.07 0.08 Allowed 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.487 -0.758 . . . . 0.0 109.35 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER -76.71 165.08 25.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.98 89.56 2.95 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 -166.66 1.65 Allowed 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -94.52 131.58 40.09 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.506 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 2.4 mp0 -99.79 61.7 1.15 Allowed 'General case' 0 C--N 1.26 -3.306 0 CA-C-O 121.953 0.882 . . . . 0.0 109.344 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.506 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 1.4 mmm180 -123.28 117.0 24.27 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.95 -40.56 0.11 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.976 -0.452 . . . . 0.0 111.59 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' B' ' 21' ' ' ARG . 38.8 m80 -58.09 89.6 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.468 -0.77 . . . . 0.0 110.181 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.531 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 24' ' ' THR . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.445 ' SD ' ' HG2' ' B' ' 20' ' ' GLU . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.435 ' CG ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.435 HD11 ' CG ' ' B' ' 32' ' ' LYS . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.498 ' HG3' ' HH ' ' A' ' 39' ' ' TYR . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.492 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.492 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' B' ' 69' ' ' ARG . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.45 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.45 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.406 HD23 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.462 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.462 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.501 HD22 ' ND2' ' A' ' 84' ' ' ASN . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.77 -50.06 39.94 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -52.08 66.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.217 -0.927 . . . . 0.0 109.189 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -39.0 65.86 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -41.65 89.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.08 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.43 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 50.5 mt-10 -56.1 -45.37 79.46 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.802 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.469 ' HB3' ' CG ' ' B' ' 99' ' ' ARG . 5.5 mt -61.24 -55.3 33.62 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.723 -1.235 . . . . 0.0 109.085 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.469 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.4 OUTLIER -55.35 -33.6 63.53 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.312 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.402 ' HG2' ' HG3' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -78.77 -46.22 19.32 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 15.3 mt-30 -83.81 -65.27 1.03 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.766 -0.584 . . . . 0.0 111.331 -174.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.38 -174.7 2.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.02 -168.88 0.19 Allowed 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.469 ' CG ' ' HB3' ' B' ' 93' ' ' LEU . 0.5 OUTLIER 47.38 35.63 4.17 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 102' ' ' LEU . . . -139.32 -61.29 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.117 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 11.1 Cg_endo -54.95 38.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 123.754 2.969 . . . . 0.0 113.053 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -137.7 15.62 2.91 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.128 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.555 ' HB3' ' CZ ' ' B' ' 105' ' ' PHE . 2.3 m 62.89 -114.12 0.46 Allowed 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 106' ' ' GLY . 0.0 OUTLIER 64.49 -54.46 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.24 -0.912 . . . . 0.0 109.192 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' B' ' 103' ' ' SER . 1.6 m-85 60.96 -66.11 0.06 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 155.28 -108.02 0.35 Allowed Glycine 0 C--N 1.277 -2.735 0 N-CA-C 104.843 -3.303 . . . . 0.0 104.843 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.186 -2.246 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 171.559 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 1 N-CA-C 102.536 -4.226 . . . . 0.0 102.536 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.59 149.29 26.06 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.93 -1.336 . . . . 0.0 107.82 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 80.07 0.17 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.399 -0.813 . . . . 0.0 109.65 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.58 120.99 14.38 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.54 40.05 0.24 Allowed Glycine 0 C--N 1.286 -2.227 0 C-N-CA 119.171 -1.49 . . . . 0.0 109.761 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -48.73 115.57 1.3 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.561 -0.964 . . . . 0.0 108.428 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 16.1 3.1 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -90.83 77.76 6.18 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.064 -1.257 . . . . 0.0 107.665 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.14 121.83 14.62 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.488 -0.758 . . . . 0.0 109.449 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -76.28 170.93 15.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.82 112.63 1.37 Allowed 'General case' 0 C--N 1.291 -1.97 0 O-C-N 121.496 -0.753 . . . . 0.0 110.118 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -61.32 88.98 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 42.92 98.11 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 123.241 0.616 . . . . 0.0 111.004 -177.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.6 p-10 -36.99 -28.7 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 122.333 0.253 . . . . 0.0 110.743 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' ARG . 12.2 m-85 -58.89 71.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 14' ' ' ASP . 1.1 m -70.49 60.1 0.21 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.5 mm-40 65.13 145.24 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.512 0.672 . . . . 0.0 109.696 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 t -95.84 -134.77 0.21 Allowed 'General case' 0 C--N 1.276 -2.605 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -65.37 -173.9 0.16 Allowed 'General case' 0 C--N 1.262 -3.232 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 38.79 62.83 0.99 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.763 0.792 . . . . 0.0 111.083 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -78.7 126.79 31.21 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.8 66.83 0.78 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.42 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 50.75 -90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.719 -0.613 . . . . 0.0 110.932 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 36' ' ' ILE . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 24' ' ' THR . 4.3 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' B' ' 27' ' ' LEU . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.506 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.562 HD22 ' ND2' ' B' ' 53' ' ' ASN . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.1 60.81 1.05 Allowed 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.67 64.66 0.21 Allowed Glycine 0 C--N 1.289 -2.062 0 N-CA-C 105.277 -3.129 . . . . 0.0 105.277 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.18 -52.08 0.61 Allowed Glycine 0 N--CA 1.484 1.846 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CG ' HH22 ' A' ' 69' ' ' ARG . 1.1 m-20 -69.39 -19.14 63.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.798 -1.413 . . . . 0.0 109.917 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -26.8 4.27 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.524 -0.735 . . . . 0.0 110.607 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -38.45 60.95 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -61.75 -47.24 86.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 174.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.8 t -51.88 -56.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -41.51 69.37 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.85 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.55 -41.64 90.56 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.1 mt -70.59 -37.05 73.86 Favored 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.332 -0.855 . . . . 0.0 109.063 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.0 -44.21 91.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.22 -46.45 86.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.21 -48.37 81.87 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.78 -49.12 68.94 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 81' ' ' ARG . 31.9 m-20 -59.43 -37.0 76.96 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.509 HH11 ' CD ' ' A' ' 83' ' ' GLU . 2.6 tmt_? -60.54 -50.66 72.67 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.36 -41.44 89.27 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.459 -0.775 . . . . 0.0 109.028 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 78' ' ' ASP . 60.5 mtp180 -59.87 -35.86 75.7 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.24 78.44 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' CD ' HH11 ' A' ' 79' ' ' ARG . 2.2 mt-10 -62.45 -53.14 59.22 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.499 HD22 ' ND2' ' B' ' 84' ' ' ASN . 30.5 m-80 -49.03 -48.14 44.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.96 -54.94 41.26 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.79 -41.74 70.95 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.345 0.593 . . . . 0.0 109.852 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' CD2' ' HG ' ' B' ' 88' ' ' LEU . 12.9 mt -74.21 -48.66 27.49 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 121.022 -1.049 . . . . 0.0 109.884 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.3 OUTLIER -63.58 -49.7 72.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.338 -0.851 . . . . 0.0 108.76 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -43.34 62.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.948 -1.095 . . . . 0.0 108.754 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.28 -45.56 69.36 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.586 -0.696 . . . . 0.0 109.34 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.62 -49.56 64.87 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.545 ' CD ' HH21 ' A' ' 95' ' ' ARG . 0.4 OUTLIER -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 42.9 mt -54.26 -31.74 54.4 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.795 -1.191 . . . . 0.0 109.943 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.41 ' ND1' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -80.91 -49.16 11.36 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.545 HH21 ' CD ' ' A' ' 92' ' ' GLU . 31.1 mtm105 -70.63 -32.31 69.58 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 121.96 -0.463 . . . . 0.0 111.355 -176.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -85.73 -23.5 27.32 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.045 -1.034 . . . . 0.0 110.049 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 1.1 mp0 -104.61 -161.93 0.85 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER 21.92 -86.54 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.856 0.862 . . . . 0.0 112.933 176.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.412 ' NE ' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.45 51.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.403 -0.81 . . . . 0.0 109.843 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.466 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -141.95 -66.03 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' A' ' 103' ' ' SER . 6.3 Cg_exo -38.02 93.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 123.342 2.694 . . . . 0.0 112.765 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 39.03 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.312 -0.867 . . . . 0.0 110.084 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.548 ' H ' ' C ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -130.79 3.02 4.46 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.054 -1.029 . . . . 0.0 108.354 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -72.65 53.62 0.32 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 107' ' ' ASP . 64.5 m-85 -61.12 -35.02 75.91 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.84 -57.62 0.99 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 105' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.233 0 CA-C-O 118.56 -0.734 . . . . 0.0 110.618 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 1 N-CA-C 102.619 -4.192 . . . . 0.0 102.619 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -49.06 144.74 4.59 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.319 -1.106 . . . . 0.0 108.888 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.18 77.21 0.05 Allowed 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.535 0.683 . . . . 0.0 109.894 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -59.81 119.63 8.05 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.94 34.74 0.62 Allowed Glycine 0 N--CA 1.495 2.614 0 C-N-CA 119.294 -1.431 . . . . 0.0 109.689 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.37 108.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.57 21.09 13.28 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.57 74.31 1.88 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.0 -1.294 . . . . 0.0 108.514 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.93 123.54 17.37 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.488 -0.757 . . . . 0.0 109.074 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -75.83 176.87 7.39 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 112.7 2.89 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.88 -1.137 . . . . 0.0 109.588 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' B' ' 12' ' ' GLN . 21.6 mp0 -58.65 89.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 42.81 104.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 123.572 0.749 . . . . 0.0 111.454 -178.053 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 16' ' ' SER . 5.1 p-10 -41.33 -22.61 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 O-C-N 121.903 -0.498 . . . . 0.0 110.859 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' B' ' 13' ' ' ARG . 16.6 m-85 -66.88 67.14 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -69.1 65.66 0.15 Allowed 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.7 mm-40 60.91 144.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.909 0.862 . . . . 0.0 110.915 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.3 t -97.9 -135.76 0.26 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -60.55 -172.62 0.02 OUTLIER 'General case' 0 C--N 1.269 -2.909 0 CA-C-O 121.399 0.618 . . . . 0.0 110.513 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 35.74 56.65 0.94 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.598 0.713 . . . . 0.0 111.837 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' B' ' 23' ' ' HIS . 2.7 mtt85 -71.32 124.29 24.22 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -69.65 62.58 0.17 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.458 -0.776 . . . . 0.0 109.574 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' B' ' 21' ' ' ARG . 69.5 m-70 54.36 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 111.225 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.508 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.512 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 4.0 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.474 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 27' ' ' LEU . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.46 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.485 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 47' ' ' SER . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.562 ' ND2' HD22 ' A' ' 53' ' ' ASN . 9.8 m-80 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.422 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.537 ' CZ ' ' HB2' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.527 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.431 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.527 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.499 ' ND2' HD22 ' A' ' 84' ' ' ASN . 24.6 m-80 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.431 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 14.7 mt -76.29 -50.75 13.54 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.407 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.26 -46.99 88.08 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -43.44 72.53 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.085 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.26 -43.77 77.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.84 . . . . 0.0 109.339 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -55.19 -49.45 71.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.488 ' CD ' HH21 ' B' ' 95' ' ' ARG . 0.5 OUTLIER -56.77 -46.06 81.7 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.718 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 57.6 mt -53.92 -28.04 34.38 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.848 -1.157 . . . . 0.0 109.889 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.85 -52.51 6.31 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' B' ' 92' ' ' GLU . 24.4 mtm105 -66.36 -33.34 75.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.75 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -21.43 29.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.995 -176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' B' ' 98' ' ' GLU . 1.1 mp0 -106.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' B' ' 100' ' ' ALA . 0.0 OUTLIER 19.5 -84.04 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.8 0.84 . . . . 0.0 112.822 176.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.454 ' NE ' ' OE2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.47 44.88 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.293 -0.88 . . . . 0.0 109.841 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.497 ' CB ' ' CD ' ' B' ' 101' ' ' PRO . . . -133.73 -68.41 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 108.483 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 5.8 Cg_exo -36.85 99.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 123.367 2.711 . . . . 0.0 112.708 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -14.72 42.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.922 -1.111 . . . . 0.0 109.777 -178.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.96 2.16 15.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.043 -1.036 . . . . 0.0 110.628 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -69.75 66.96 0.24 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.731 -1.231 . . . . 0.0 108.389 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -72.29 -34.38 68.13 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.265 -0.897 . . . . 0.0 109.36 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.47 -62.19 2.72 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.506 2.346 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.989 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 1 N-CA-C 102.545 -4.222 . . . . 0.0 102.545 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 4' ' ' ALA . . . -66.02 92.5 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -1.088 . . . . 0.0 108.843 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -67.84 50.48 0.06 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -149.32 144.64 26.58 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.16 -160.22 20.39 Favored Glycine 0 C--N 1.287 -2.192 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.65 -170.56 3.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 54.22 32.13 50.51 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 177.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.08 57.5 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.494 -1.003 . . . . 0.0 110.085 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' GLY . 48.8 mt-10 -56.51 125.31 21.54 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.994 -1.066 . . . . 0.0 108.39 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -76.21 128.6 35.27 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -103.3 123.76 47.39 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.94 -170.8 0.25 Allowed 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 11' ' ' LEU . 52.3 mmt-85 -149.14 27.16 0.86 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' CG ' ' HG ' ' B' ' 31' ' ' SER . 15.2 p-10 -76.72 -7.82 56.08 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -46.17 -34.34 4.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.623 -0.673 . . . . 0.0 109.874 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m 56.22 -161.42 0.19 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.21 173.56 8.72 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.026 -1.046 . . . . 0.0 108.572 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -75.02 169.49 17.89 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -159.89 -168.34 2.21 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 177.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' C ' ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -72.19 58.24 0.37 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.123 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.585 ' CA ' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -103.07 102.02 12.02 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 120.769 -1.207 . . . . 0.0 107.784 -177.04 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' THR . 60.3 m-85 -86.62 -95.66 0.08 Allowed 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.364 -174.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -69.56 38.11 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.552 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.2 mp0 -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.528 ' HG ' ' CG ' ' B' ' 14' ' ' ASP . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' B' ' 27' ' ' LEU . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' CG ' ' HH ' ' B' ' 39' ' ' TYR . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.7 m-80 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' LEU . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' ARG . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt -121.87 135.01 54.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -123.08 134.13 9.36 Favored Glycine 0 C--N 1.29 -1.999 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.61 43.19 1.84 Allowed Glycine 0 N--CA 1.5 2.926 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.1 m-20 -101.71 0.7 36.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.518 -0.99 . . . . 0.0 109.625 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.87 -38.9 17.21 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.589 -1.32 . . . . 0.0 110.634 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.38 -27.23 60.56 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.056 . . . . 0.0 108.2 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.506 HH22 ' CD ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -67.79 -44.96 76.15 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 t -54.15 -59.28 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -57.22 -41.91 80.35 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.944 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.74 -38.99 87.03 Favored 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.603 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 69' ' ' ARG . 72.9 mt -67.44 -44.56 78.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.682 -0.636 . . . . 0.0 109.789 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' B' ' 69' ' ' ARG . 0.8 OUTLIER -60.13 -47.1 87.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 107.99 177.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.45 -41.94 81.53 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.28 -0.888 . . . . 0.0 108.671 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -60.34 -40.54 91.03 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -60.22 -43.14 96.26 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.364 -0.835 . . . . 0.0 108.841 176.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.97 -42.7 85.57 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.4 -0.813 . . . . 0.0 109.183 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.435 HH22 ' CG ' ' A' ' 78' ' ' ASP . 5.3 mtm-85 -63.27 -37.15 86.12 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -55.29 36.31 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 30.4 m-80 -47.7 -48.66 29.32 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -55.24 34.75 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.443 HE21 ' C ' ' A' ' 82' ' ' ALA . 31.0 mt-30 -54.74 -51.58 65.22 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 29.7 mt -59.93 -49.48 77.52 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.428 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -64.28 -43.62 94.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -62.9 -38.83 92.5 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.205 -0.934 . . . . 0.0 108.816 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' CD ' HH12 ' B' ' 95' ' ' ARG . 2.1 mt-10 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.566 -1.334 . . . . 0.0 108.123 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.566 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 22.3 t-20 -60.96 -46.4 90.88 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 89' ' ' THR . 37.4 mt-10 -51.79 -50.38 60.86 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 13.3 mt -54.16 -23.7 15.27 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.299 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' B' ' 94' ' ' HIS . 8.2 t60 -85.24 -56.53 3.49 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.856 -1.153 . . . . 0.0 108.318 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.566 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -66.12 -36.24 82.63 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 111.807 -176.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -27.52 50.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.389 -175.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -71.41 61.5 0.33 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.404 1.097 . . . . 0.0 108.125 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 100' ' ' ALA . 9.5 mt-10 -75.12 -40.8 59.56 Favored 'General case' 0 C--N 1.266 -3.031 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.44 34.87 0.33 Allowed 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.025 -1.047 . . . . 0.0 109.392 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 98' ' ' GLU . . . -105.16 -64.07 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.417 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 4.1 Cg_exo -35.52 116.92 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 C-N-CA 123.045 2.497 . . . . 0.0 112.162 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 50.38 11.95 0.08 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.952 -0.468 . . . . 0.0 110.584 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 101' ' ' PRO . 1.9 m -125.67 -113.91 0.29 Allowed 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.09 60.49 1.44 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.089 -1.632 . . . . 0.0 108.256 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -96.69 163.39 13.03 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.27 30.37 0.09 OUTLIER Glycine 0 N--CA 1.499 2.878 0 N-CA-C 106.537 -2.625 . . . . 0.0 106.537 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.188 -2.164 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.838 -175.099 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 1 N-CA-C 102.087 -4.405 . . . . 0.0 102.087 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.45 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -1.189 . . . . 0.0 108.48 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.07 53.59 0.13 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.818 -1.176 . . . . 0.0 109.312 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.65 28.74 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.86 -171.45 16.36 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.418 -1.873 . . . . 0.0 108.418 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -140.36 -162.73 1.4 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.965 -1.315 . . . . 0.0 108.982 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.81 33.33 27.58 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.77 56.35 0.09 Allowed 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.899 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.99 136.54 47.58 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -83.13 137.95 33.87 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.499 ' O ' ' NH1' ' B' ' 13' ' ' ARG . 5.4 mp -112.23 121.92 46.27 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.0 -169.48 0.09 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' B' ' 11' ' ' LEU . 48.9 mmt-85 -149.29 30.5 0.77 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.528 ' CG ' ' HG ' ' A' ' 31' ' ' SER . 16.8 p-10 -80.07 -8.74 59.54 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -43.88 -34.62 1.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 57.17 -166.76 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.82 170.38 11.24 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.259 -0.901 . . . . 0.0 108.8 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -74.57 159.39 32.23 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -150.88 -166.99 2.69 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.453 ' C ' ' HE ' ' B' ' 21' ' ' ARG . 0.7 OUTLIER -72.27 58.65 0.39 Allowed 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 176.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.542 ' HE ' ' CA ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -105.81 102.8 12.22 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.502 ' C ' ' H ' ' B' ' 24' ' ' THR . 34.4 m-85 -88.6 -92.69 0.11 Allowed 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.852 -0.53 . . . . 0.0 110.525 -174.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 -71.01 37.24 0.05 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.05 -1.031 . . . . 0.0 109.812 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.518 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 24' ' ' THR . 1.7 mp0 -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.44 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.486 ' HG ' ' CG ' ' A' ' 14' ' ' ASP . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' HB3' ' A' ' 27' ' ' LEU . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.447 ' CG ' ' HH ' ' A' ' 39' ' ' TYR . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.541 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.543 HD22 ' CG ' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 69' ' ' ARG . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.506 ' CD ' HH22 ' A' ' 69' ' ' ARG . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.458 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 83' ' ' GLU . 30.7 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 49.8 mt -59.98 -49.66 76.81 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.402 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.04 -44.98 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 92' ' ' GLU . 0.5 OUTLIER -61.2 -38.74 87.66 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.318 -0.864 . . . . 0.0 108.945 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.518 ' CD ' HH12 ' A' ' 95' ' ' ARG . 0.9 OUTLIER -69.33 -39.31 78.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.882 -1.136 . . . . 0.0 108.293 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.588 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 26.5 t-20 -60.81 -46.21 91.4 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 89' ' ' THR . 32.2 mt-10 -52.02 -50.76 60.78 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' B' ' 97' ' ' GLN . 9.4 mt -53.33 -23.05 8.32 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.139 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' A' ' 94' ' ' HIS . 13.4 t60 -85.49 -57.98 2.85 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 0.8 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.836 -0.54 . . . . 0.0 111.776 -176.314 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -77.71 -31.81 52.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.636 -0.665 . . . . 0.0 109.502 -174.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -68.61 63.75 0.11 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' B' ' 100' ' ' ALA . 40.0 mt-10 -78.36 -35.34 47.52 Favored 'General case' 0 C--N 1.264 -3.13 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.8 31.46 0.36 Allowed 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.478 -0.764 . . . . 0.0 109.536 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' B' ' 98' ' ' GLU . . . -103.16 -64.84 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.59 -0.694 . . . . 0.0 109.511 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 3.5 Cg_exo -35.58 113.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.484 0.946 0 C-N-CA 123.118 2.546 . . . . 0.0 112.233 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.5 14.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.58 -0.7 . . . . 0.0 110.624 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.29 -106.89 0.32 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.81 56.84 3.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.626 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -90.4 159.76 16.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.086 -1.009 . . . . 0.0 109.075 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.8 32.8 0.23 Allowed Glycine 0 N--CA 1.498 2.789 0 N-CA-C 107.338 -2.305 . . . . 0.0 107.338 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.757 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.907 1 N-CA-C 102.873 -4.091 . . . . 0.0 102.873 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -68.66 86.93 0.32 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.591 -1.535 . . . . 0.0 108.24 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mmm 66.42 -54.05 0.41 Allowed 'General case' 0 N--CA 1.512 2.63 0 O-C-N 121.523 -0.736 . . . . 0.0 109.065 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' O ' ' HA2' ' A' ' 1' ' ' GLY . . . -76.23 168.75 19.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.17 -43.52 99.0 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 108.744 -1.742 . . . . 0.0 108.744 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' HB3' ' CA ' ' A' ' 1' ' ' GLY . 29.3 t70 54.81 90.63 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 O-C-N 122.155 -0.615 . . . . 0.0 110.306 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 172.03 -39.65 0.17 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -65.07 56.21 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.679 -0.895 . . . . 0.0 111.153 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -69.78 69.72 0.31 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.202 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' SER . 37.0 p90 -67.54 136.07 53.97 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 121.371 -0.831 . . . . 0.0 109.7 -176.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.1 157.15 45.69 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -126.32 -17.99 5.03 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.078 -1.013 . . . . 0.0 109.036 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 44.12 62.73 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 27.1 t0 -62.94 162.19 11.7 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.687 -1.258 . . . . 0.0 108.981 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -76.71 68.89 3.02 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -54.29 37.93 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' C ' ' HG1' ' A' ' 18' ' ' THR . 3.3 mt-10 47.83 -156.7 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.999 0.904 . . . . 0.0 111.8 175.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.534 ' HG1' ' C ' ' A' ' 17' ' ' GLU . 77.6 m -167.42 132.33 1.95 Allowed 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -147.16 146.27 29.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 108.824 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.07 72.14 1.22 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -115.58 105.78 13.17 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.392 -0.817 . . . . 0.0 108.868 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 24' ' ' THR . 91.5 m-85 -97.22 162.0 13.55 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 69.65 -57.38 0.55 Allowed 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.543 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 24' ' ' THR . 1.5 mp0 -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 27' ' ' LEU . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.639 HD12 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.631 ' SD ' HD12 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' HG2' ' HE3' ' B' ' 49' ' ' MET . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.565 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.519 HD22 ' ND2' ' B' ' 53' ' ' ASN . 10.8 m-80 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 5.9 mt -111.49 122.36 47.64 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.35 144.37 15.96 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 120.944 -1.098 . . . . 0.0 110.999 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.69 57.56 4.92 Favored Glycine 0 N--CA 1.484 1.853 0 N-CA-C 107.242 -2.343 . . . . 0.0 107.242 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -68.15 -7.58 31.21 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.454 -1.027 . . . . 0.0 109.152 -178.359 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -45.91 -33.56 3.33 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.859 -0.525 . . . . 0.0 110.131 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.52 -37.75 59.86 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' NH2' HD21 ' A' ' 73' ' ' LEU . 28.8 tpt180 -65.27 -41.27 94.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' B' ' 73' ' ' LEU . 43.9 t -53.88 -56.11 10.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -59.19 -39.25 82.0 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.621 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.41 -47.58 72.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' NH2' ' A' ' 69' ' ' ARG . 32.9 mt -68.49 -38.77 81.28 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.465 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.13 -39.46 94.76 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.48 -45.18 88.45 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.54 -42.56 92.62 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.28 -44.19 95.57 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.515 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -57.03 -40.85 77.5 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -48.32 82.09 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 13.6 mt -68.36 -38.01 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.208 -0.933 . . . . 0.0 109.174 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.515 HH22 ' CG ' ' A' ' 78' ' ' ASP . 12.4 mtm-85 -61.22 -33.97 74.35 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.71 80.57 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.04 -49.65 71.54 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -49.96 -49.47 50.1 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -52.07 67.02 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.432 HE21 ' C ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -57.99 -50.46 73.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.204 -0.935 . . . . 0.0 109.502 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 11.6 mt -66.49 -49.72 65.66 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 121.867 -0.521 . . . . 0.0 109.741 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.68 76.53 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.5 92.63 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 118.574 -1.25 . . . . 0.0 109.067 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.78 -47.78 83.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.716 -1.24 . . . . 0.0 109.293 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 26.8 t-20 -54.66 -48.08 72.76 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 1.2 mm-40 -59.08 -44.08 91.85 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.615 -0.678 . . . . 0.0 109.664 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.31 -49.71 76.79 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.767 -1.208 . . . . 0.0 109.264 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.485 ' HE2' ' NH1' ' B' ' 99' ' ' ARG . 1.0 OUTLIER -72.81 -24.39 60.9 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.338 -0.851 . . . . 0.0 110.19 -177.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.1 mtt85 -82.89 -51.32 7.73 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 121.051 -1.03 . . . . 0.0 108.517 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' A' ' 98' ' ' GLU . 24.6 mt-30 -63.15 -63.07 1.3 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 98' ' ' GLU . 4.7 mp0 -78.34 44.8 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.554 ' C ' ' HE ' ' A' ' 99' ' ' ARG . 3.3 tp10 9.26 -98.96 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.609 1.164 . . . . 0.0 111.914 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' NH1' ' OG ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -113.73 39.48 2.66 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.376 -1.452 . . . . 0.0 108.86 -178.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -76.19 -66.37 0.38 Allowed Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 2.8 Cg_exo -32.48 88.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.977 3.118 . . . . 0.0 113.297 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.5 mt 40.74 31.77 0.13 Allowed 'General case' 0 N--CA 1.512 2.625 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.612 ' OG ' ' NH1' ' B' ' 99' ' ' ARG . 60.5 m -117.66 25.56 10.31 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.063 -1.023 . . . . 0.0 111.39 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 106' ' ' GLY . 1.8 pttm -69.06 63.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.0 OUTLIER 67.57 -61.71 0.35 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -175.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 65.4 -74.95 0.09 OUTLIER Glycine 0 N--CA 1.495 2.601 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 175.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.185 -2.331 0 O-C-N 121.541 -0.976 . . . . 0.0 108.444 -179.112 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' B' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 103.277 -3.929 . . . . 0.0 103.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.74 91.07 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.362 -1.081 . . . . 0.0 109.035 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mmm 64.25 -57.45 0.23 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -74.98 166.81 23.08 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.16 97.2 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.437 ' HB3' ' CA ' ' B' ' 1' ' ' GLY . 14.4 t0 54.55 79.65 0.14 Allowed 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.849 0.833 . . . . 0.0 109.695 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -174.7 -37.25 0.04 OUTLIER Glycine 0 C--N 1.279 -2.624 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.1 OUTLIER -66.08 54.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -1.141 . . . . 0.0 111.57 -178.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 7' ' ' GLY . 1.2 mp0 -69.85 66.35 0.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 175.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' B' ' 8' ' ' SER . 26.2 p90 -67.78 132.36 47.28 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 121.121 -0.987 . . . . 0.0 110.538 -174.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.462 ' CD2' ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -138.74 151.14 46.86 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -118.79 -24.27 6.71 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.381 -0.824 . . . . 0.0 109.149 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' B' ' 13' ' ' ARG . 0.0 OUTLIER 49.72 68.05 0.8 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.803 0.811 . . . . 0.0 110.4 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.07 161.91 17.92 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.263 -0.898 . . . . 0.0 109.059 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -79.41 71.63 5.99 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -54.64 -58.8 6.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.866 -0.521 . . . . 0.0 109.99 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.475 ' C ' ' HG1' ' B' ' 18' ' ' THR . 19.7 mt-10 44.4 -159.29 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 121.536 0.684 . . . . 0.0 111.384 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.475 ' HG1' ' C ' ' B' ' 17' ' ' GLU . 58.2 m -165.33 123.59 1.63 Allowed 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -136.61 150.62 48.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.49 -0.756 . . . . 0.0 109.094 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.46 71.21 1.33 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -113.2 105.48 13.49 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.223 -0.923 . . . . 0.0 109.135 -179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' B' ' 24' ' ' THR . 90.0 m-85 -94.22 161.25 14.34 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.059 -1.025 . . . . 0.0 108.404 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 67.93 -56.21 0.48 Allowed 'General case' 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -173.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.509 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 24' ' ' THR . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 24' ' ' THR . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 24' ' ' THR . 1.5 mp0 -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.406 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.631 HD12 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.639 ' SD ' HD12 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.664 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 53' ' ' ASN . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.664 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' B' ' 53' ' ' ASN . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 66' ' ' ASP . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.414 HG13 ' HG3' ' A' ' 69' ' ' ARG . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.431 ' CD1' HG13 ' A' ' 70' ' ' VAL . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.403 ' CD1' HD23 ' A' ' 73' ' ' LEU . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.466 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.466 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.414 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -67.39 -49.36 64.21 Favored 'General case' 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -48.0 82.58 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 118.455 -1.298 . . . . 0.0 109.429 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -62.75 -46.31 88.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.18 -0.95 . . . . 0.0 109.044 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.44 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 28.1 t-20 -55.64 -48.72 74.51 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.412 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 1.4 mm-40 -57.21 -44.67 83.91 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.659 -0.651 . . . . 0.0 109.605 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.62 -51.51 69.5 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.611 -1.306 . . . . 0.0 109.632 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.479 ' O ' ' NH2' ' B' ' 99' ' ' ARG . 1.4 t-80 -71.8 -22.74 61.53 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.208 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.44 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt85 -83.93 -49.49 8.93 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 122.033 0.92 . . . . 0.0 108.698 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' B' ' 98' ' ' GLU . 31.6 mt-30 -67.11 -56.91 8.01 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.527 ' O ' ' C ' ' B' ' 98' ' ' GLU . 5.2 mp0 -81.43 44.38 0.79 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.583 ' C ' ' HE ' ' B' ' 99' ' ' ARG . 4.5 tp10 8.66 -97.35 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.515 1.126 . . . . 0.0 111.552 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.612 ' NH1' ' OG ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -113.62 38.17 3.01 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.261 -1.524 . . . . 0.0 109.377 -178.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.428 ' CB ' ' CD ' ' B' ' 101' ' ' PRO . . . -76.07 -66.74 0.36 Allowed Pre-proline 0 C--N 1.297 -1.68 0 O-C-N 121.29 -0.881 . . . . 0.0 109.265 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 2.7 Cg_exo -33.23 91.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 123.718 2.945 . . . . 0.0 112.802 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 24.0 mt 38.0 36.85 0.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 121.059 0.457 . . . . 0.0 109.801 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.575 ' OG ' ' NH1' ' A' ' 99' ' ' ARG . 53.3 m -122.24 24.72 9.3 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.192 -0.943 . . . . 0.0 111.315 -173.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.4 pttm -69.72 63.04 0.18 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.6 OUTLIER 67.94 -64.51 0.28 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 68.81 -75.39 0.31 Allowed Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.982 -1.074 . . . . 0.0 110.419 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 N--CA 1.504 2.258 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 1 N-CA-C 102.015 -4.434 . . . . 0.0 102.015 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.66 -119.4 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.526 -0.984 . . . . 0.0 108.481 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' GLY . 20.5 mtp -118.16 -42.57 2.79 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.095 -1.003 . . . . 0.0 108.787 176.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.83 -65.72 0.09 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -85.56 78.88 1.93 Allowed Glycine 0 C--N 1.284 -2.331 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 175.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 1.6 p-10 -68.88 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -176.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . -141.47 28.11 2.34 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 61.47 0.19 Allowed 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.519 -0.989 . . . . 0.0 110.142 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.48 160.64 5.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 20.0 p90 -73.43 117.85 15.67 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -94.02 113.57 25.57 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' B' ' 33' ' ' GLN . 27.9 mt-30 -58.49 127.24 31.17 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' NE ' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -154.32 132.66 11.92 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.93 171.46 8.34 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 1.2 m-30 -134.55 44.96 2.62 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -35.29 76.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 108.513 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -70.72 57.91 0.2 Allowed 'General case' 0 C--N 1.283 -2.292 0 O-C-N 121.564 -0.71 . . . . 0.0 109.815 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 73.95 123.16 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.55 0.691 . . . . 0.0 109.989 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.51 -178.42 5.24 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 46.9 39.24 7.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.424 -0.798 . . . . 0.0 109.421 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.33 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.942 -0.474 . . . . 0.0 109.803 -178.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.3 m-85 -60.45 177.06 0.3 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 -56.59 86.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.2 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.449 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' B' ' 12' ' ' GLN . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' B' ' 27' ' ' LEU . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.619 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.629 ' ND2' HD22 ' B' ' 53' ' ' ASN . 5.9 m-80 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' LEU . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 56' ' ' LEU . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt -128.8 147.23 50.77 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' B' ' 64' ' ' GLY . . . -132.19 -114.96 1.63 Allowed Glycine 0 N--CA 1.512 3.734 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' B' ' 64' ' ' GLY . . . 151.83 77.39 0.02 OUTLIER Glycine 1 N--CA 1.519 4.188 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 177.089 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -9.66 0.23 Allowed 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.873 -0.781 . . . . 0.0 110.109 -170.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -36.18 6.69 Favored 'General case' 0 N--CA 1.517 2.877 0 O-C-N 121.366 -0.834 . . . . 0.0 110.744 -176.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.96 62.95 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -76.04 -43.65 42.93 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -49.02 -52.8 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.492 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 17.5 ttm105 -56.22 -46.49 79.48 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.049 -177.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.67 -42.27 92.5 Favored 'General case' 0 C--N 1.285 -2.2 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.753 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.02 -37.44 85.91 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.29 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.51 -49.05 76.87 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.77 -41.29 86.24 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.99 -43.38 92.77 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.98 -44.72 96.97 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.293 -0.879 . . . . 0.0 108.794 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.474 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.4 OUTLIER -58.91 -42.32 89.34 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.63 177.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -59.66 -56.26 24.11 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 10.1 mt -57.06 -43.71 82.3 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.43 -0.794 . . . . 0.0 109.213 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.474 HH22 ' CG ' ' A' ' 78' ' ' ASP . 7.7 mtm-85 -60.07 -34.84 73.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.12 -52.63 61.81 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.21 -52.98 59.54 Favored 'General case' 0 C--O 1.193 -1.909 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -52.83 -49.84 64.91 Favored 'General case' 0 C--O 1.19 -2.04 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.678 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.44 -55.1 35.65 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -57.41 -54.8 42.7 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.451 0.643 . . . . 0.0 109.783 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 12.6 mt -61.86 -49.91 74.35 Favored 'General case' 0 C--N 1.283 -2.304 0 O-C-N 121.393 -0.817 . . . . 0.0 110.479 -176.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -51.69 68.25 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -44.8 90.06 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.044 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' CD ' HH22 ' B' ' 95' ' ' ARG . 3.7 mm-40 -64.23 -36.74 85.06 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.884 -1.135 . . . . 0.0 109.66 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 55.7 t30 -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 1.2 mm-40 -54.97 -52.72 62.18 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' C ' HE21 ' A' ' 97' ' ' GLN . 0.4 OUTLIER -54.41 -23.66 16.74 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -0.819 . . . . 0.0 110.121 179.264 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' B' ' 94' ' ' HIS . 7.0 t-160 -86.22 -68.09 0.76 Allowed 'General case' 0 C--N 1.286 -2.153 0 O-C-N 121.631 -0.668 . . . . 0.0 109.953 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.503 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 7.9 mmt180 -50.94 -44.16 60.27 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.537 0.684 . . . . 0.0 110.363 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.521 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 76.6 mt-30 -50.35 -45.68 55.24 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' NE2' ' HB2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -109.01 23.35 14.67 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.549 -0.719 . . . . 0.0 110.523 -175.465 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -68.38 -96.29 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.679 178.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 99' ' ' ARG . 3.3 mmm180 -84.66 44.47 1.06 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 120.654 -1.278 . . . . 0.0 107.843 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.496 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -88.12 -55.59 0.33 Allowed Pre-proline 0 N--CA 1.491 1.615 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.352 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -41.24 95.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.909 2.406 . . . . 0.0 112.21 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.67 -43.48 98.69 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.09 132.94 48.48 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 106' ' ' GLY . 3.8 mptp? 62.57 50.55 3.51 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -67.46 44.78 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.471 -0.768 . . . . 0.0 110.182 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 104' ' ' LYS . . . 63.87 41.97 98.58 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.499 2.007 0 O-C-N 121.431 -1.04 . . . . 0.0 108.276 178.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 1 N-CA-C 102.943 -4.063 . . . . 0.0 102.943 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.45 -124.03 2.19 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.113 -1.228 . . . . 0.0 108.226 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.467 ' O ' ' N ' ' B' ' 5' ' ' GLY . 9.8 mtp -112.86 -42.65 3.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.159 -0.963 . . . . 0.0 108.656 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.93 -67.79 0.1 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -84.7 77.09 2.15 Favored Glycine 0 C--N 1.285 -2.304 0 N-CA-C 107.294 -2.323 . . . . 0.0 107.294 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.35 -110.03 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 122.067 -0.667 . . . . 0.0 109.351 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 29.71 2.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.62 0.18 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.955 -0.732 . . . . 0.0 109.924 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 148.17 12.37 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.401 ' O ' ' CG ' ' B' ' 10' ' ' PHE . 26.3 p90 -64.39 117.0 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.424 -0.911 . . . . 0.0 108.623 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.64 120.3 31.6 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.085 -1.009 . . . . 0.0 109.069 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.425 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 26.7 mt-30 -62.15 131.52 49.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 176.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -159.33 128.94 5.48 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.925 -1.11 . . . . 0.0 109.333 -176.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -164.94 175.88 9.14 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' HD2' ' B' ' 21' ' ' ARG . 1.1 m-30 -139.59 34.69 2.02 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -36.11 63.61 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.442 ' C ' ' HG1' ' B' ' 18' ' ' THR . 19.3 mp0 -70.2 58.38 0.17 Allowed 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.568 -0.708 . . . . 0.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.442 ' HG1' ' C ' ' B' ' 17' ' ' GLU . 0.2 OUTLIER 73.45 110.8 0.07 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.337 0.589 . . . . 0.0 110.447 177.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.6 177.1 2.12 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 48.95 44.29 22.31 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.574 ' H ' ' NE ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -53.51 174.62 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.559 ' O ' ' N ' ' B' ' 24' ' ' THR . 4.6 m-85 -63.67 -179.18 0.35 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 175.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.424 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 -59.51 82.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 0.0 108.69 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.559 ' N ' ' O ' ' B' ' 22' ' ' TYR . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.426 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.9 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' B' ' 26' ' ' SER . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.439 ' OE1' ' NE ' ' A' ' 13' ' ' ARG . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.417 HG12 ' HB3' ' A' ' 27' ' ' LEU . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.643 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.473 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' B' ' 49' ' ' MET . 4.1 m-80 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.473 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' A' ' 64' ' ' GLY . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 69' ' ' ARG . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.524 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.524 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.4 mt -61.72 -51.42 68.46 Favored 'General case' 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.52 -52.66 64.62 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -43.08 93.03 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.345 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.468 ' CD ' HH22 ' A' ' 95' ' ' ARG . 2.2 mm-40 -63.99 -36.57 84.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.634 -1.291 . . . . 0.0 109.326 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.507 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 57.4 t30 -62.15 -46.61 88.22 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.494 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 1.4 mt-10 -55.02 -53.01 61.31 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 173.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.403 ' C ' HE21 ' B' ' 97' ' ' GLN . 0.3 OUTLIER -54.47 -23.64 16.98 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.801 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' A' ' 94' ' ' HIS . 6.5 t-160 -86.38 -67.59 0.8 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 122.143 0.973 . . . . 0.0 109.857 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.507 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 7.9 mmt180 -50.56 -44.48 56.65 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.529 0.68 . . . . 0.0 110.429 -176.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.498 ' HB2' ' NE2' ' B' ' 97' ' ' GLN . 66.2 mt-30 -50.47 -43.95 55.55 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.498 ' NE2' ' HB2' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -105.24 6.3 32.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 111.305 -174.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' B' ' 94' ' ' HIS . 2.6 mm-40 -53.28 -86.52 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.38 -0.825 . . . . 0.0 110.567 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' B' ' 99' ' ' ARG . 3.9 mmm180 -95.41 32.6 1.74 Allowed 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.693 -1.255 . . . . 0.0 107.918 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -74.36 -55.41 2.84 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.656 -0.653 . . . . 0.0 109.513 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -38.58 100.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 0 C-N-CA 123.133 2.555 . . . . 0.0 113.049 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.96 -42.47 80.87 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 137.01 47.63 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.1 50.37 10.12 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -67.87 49.51 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.632 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.84 97.68 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.192 -1.946 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.475 1.247 1 N-CA-C 101.821 -4.512 . . . . 0.0 101.821 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.84 70.2 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.203 -1.175 . . . . 0.0 109.946 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 4.3 mmm -159.23 94.89 1.22 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.87 111.4 22.13 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.38 120.58 21.82 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 8.2 t70 -64.57 -154.75 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.874 0 O-C-N 121.576 -0.955 . . . . 0.0 109.645 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 155.99 153.52 6.62 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 120.676 -1.265 . . . . 0.0 110.167 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 m -134.27 137.84 44.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 0.0 108.703 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.2 mm-40 -74.97 61.11 1.02 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 2.8 p90 -18.26 115.07 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 123.939 0.896 . . . . 0.0 112.219 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -58.49 123.66 16.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.57 121.38 15.23 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -132.46 66.76 1.55 Allowed 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -67.72 174.77 3.33 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.515 0.674 . . . . 0.0 111.24 -173.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -72.02 55.8 0.3 Allowed 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -37.73 -51.03 1.24 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.866 0.466 . . . . 0.0 111.422 -177.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.7 33.04 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.212 -0.93 . . . . 0.0 110.64 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -158.67 46.97 0.32 Allowed 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -135.83 166.27 23.68 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 121.166 -0.959 . . . . 0.0 109.369 -178.044 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 2.0 mp0 -137.07 22.99 3.04 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 23' ' ' HIS . 11.0 mmm-85 -83.54 60.13 5.5 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.793 0.806 . . . . 0.0 108.936 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 20' ' ' GLU . 10.2 m-85 -65.71 56.19 0.03 OUTLIER 'General case' 0 C--N 1.254 -3.573 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -140.75 179.33 6.76 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.428 -177.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.548 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 24' ' ' THR . 4.7 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' CD ' ' HG ' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD1' HD23 ' B' ' 46' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.612 HD22 ' ND2' ' B' ' 53' ' ' ASN . 1.0 OUTLIER -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' ARG . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' SER . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 62' ' ' ARG . 1.3 mt -57.76 42.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -146.18 43.08 0.91 Allowed Glycine 0 C--N 1.277 -2.708 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.94 47.31 0.46 Allowed Glycine 0 N--CA 1.495 2.606 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -138.62 -2.74 1.73 Allowed 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.225 -1.162 . . . . 0.0 108.081 176.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -42.58 -70.11 0.12 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.692 -0.63 . . . . 0.0 109.413 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 67' ' ' ASP . . . -41.22 -34.45 0.48 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.013 -1.055 . . . . 0.0 110.83 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 tpt85 -68.1 -46.75 70.1 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' ASP . 27.4 t -52.45 -56.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.64 -46.07 84.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.908 -175.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.63 -40.58 83.75 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 118.413 -1.315 . . . . 0.0 108.483 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 mt -66.07 -41.74 90.33 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.516 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -45.26 94.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.923 -1.111 . . . . 0.0 108.6 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.41 -46.73 88.91 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.01 -41.54 78.68 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 5.3 m-20 -62.17 -42.28 99.12 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -54.44 47.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.71 -43.24 85.09 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 121.221 -0.924 . . . . 0.0 109.412 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HE ' ' HA ' ' A' ' 78' ' ' ASP . 1.3 mtp85 -61.69 -37.1 82.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.015 -1.053 . . . . 0.0 108.176 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.61 88.42 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.25 -46.39 70.58 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.489 HD22 ' ND2' ' B' ' 84' ' ' ASN . 7.3 m-80 -53.09 -50.89 63.49 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.85 -53.87 49.82 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -57.97 -50.65 72.66 Favored 'General case' 0 C--N 1.29 -1.983 0 O-C-N 121.694 -0.629 . . . . 0.0 109.879 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 19.8 mt -61.89 -50.3 72.76 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 121.686 -0.634 . . . . 0.0 109.807 -177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -43.62 98.44 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.211 -0.93 . . . . 0.0 108.871 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -45.0 90.22 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.852 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.82 -46.75 80.66 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.925 -1.109 . . . . 0.0 108.34 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 2.9 mt-10 -58.6 -46.29 87.31 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.441 -0.787 . . . . 0.0 108.994 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 97' ' ' GLN . 3.1 mt -59.5 -51.04 71.56 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.373 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' NE2' ' O ' ' A' ' 99' ' ' ARG . 1.8 t-160 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.471 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 mtp-105 -71.53 -40.73 69.89 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 30.8 mt-30 -85.32 -68.44 0.73 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.315 0.579 . . . . 0.0 110.155 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -151.05 113.6 4.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.749 -0.595 . . . . 0.0 110.132 -175.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' CG ' ' H ' ' A' ' 99' ' ' ARG . 0.6 OUTLIER -170.2 -138.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.539 ' H ' ' CG ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -68.05 62.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.39 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 98' ' ' GLU . . . -129.55 -62.71 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.966 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 1.8 Cg_endo -45.84 110.53 0.26 Allowed 'Trans proline' 0 N--CA 1.482 0.798 0 C-N-CA 122.356 2.037 . . . . 0.0 109.738 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 104' ' ' LYS . 31.8 mt 60.33 13.12 3.79 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.55 -0.719 . . . . 0.0 109.503 -176.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER 54.13 -84.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.941 -0.475 . . . . 0.0 109.85 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.9 mtpm? -143.19 29.07 1.48 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 64.51 -58.52 0.23 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.931 -0.481 . . . . 0.0 110.567 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . -62.15 -51.55 55.95 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 108.033 -2.027 . . . . 0.0 108.033 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.176 -2.789 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 175.763 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.481 1.668 1 N-CA-C 102.365 -4.294 . . . . 0.0 102.365 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.14 73.46 0.12 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.934 -1.333 . . . . 0.0 109.134 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.413 ' N ' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmm -162.21 90.98 0.77 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.46 109.63 21.61 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.85 122.9 31.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.2 -163.46 0.09 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.316 -1.108 . . . . 0.0 109.46 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 154.12 9.26 Favored Glycine 0 C--N 1.289 -2.07 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.408 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.7 OUTLIER -133.02 131.87 41.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.154 -1.203 . . . . 0.0 108.299 178.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' B' ' 10' ' ' PHE . 1.4 mt-10 -68.55 54.75 0.08 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' B' ' 9' ' ' GLU . 1.5 p90 -12.39 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 124.07 0.948 . . . . 0.0 112.183 -178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.426 ' H ' ' CD2' ' B' ' 11' ' ' LEU . 0.9 OUTLIER -58.53 121.75 11.7 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -65.09 124.09 21.2 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -133.18 75.55 1.63 Allowed 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.19 177.85 3.08 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.446 -0.783 . . . . 0.0 110.617 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -77.01 52.41 0.87 Allowed 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 18' ' ' THR . 0.1 OUTLIER -35.89 -56.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.082 0.553 . . . . 0.0 111.221 -177.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.93 42.8 0.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.106 -0.996 . . . . 0.0 110.268 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.49 ' H ' ' C ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -170.15 41.91 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -134.31 169.3 17.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.381 -176.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 22' ' ' TYR . 3.6 mp0 -137.91 22.88 2.85 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' B' ' 23' ' ' HIS . 9.8 mmm180 -82.12 60.66 5.01 Favored 'General case' 0 C--N 1.278 -2.526 0 CA-C-O 122.17 0.986 . . . . 0.0 109.455 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.4 ' CZ ' ' HA ' ' B' ' 20' ' ' GLU . 12.5 m-85 -67.89 58.75 0.07 Allowed 'General case' 0 C--N 1.258 -3.408 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.1 OUTLIER -142.1 -164.14 1.74 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.088 -1.008 . . . . 0.0 109.6 -176.093 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 3.7 mp0 -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.565 ' HG ' ' CD ' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.565 ' CD ' ' HG ' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.438 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.573 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.612 ' ND2' HD22 ' A' ' 53' ' ' ASN . 6.6 m-80 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 62' ' ' ARG . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.586 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' B' ' 67' ' ' ASP . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 67' ' ' ASP . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 69' ' ' ARG . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 84' ' ' ASN . 29.4 m-80 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.407 HE21 ' HG2' ' B' ' 90' ' ' GLU . 28.2 tp60 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 23.9 mt -64.44 -50.48 67.38 Favored 'General case' 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.418 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -61.4 -43.05 99.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -46.17 82.69 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.691 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.407 ' HG2' HE21 ' B' ' 86' ' ' GLN . 4.4 mm-40 -64.13 -46.55 83.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.624 -1.297 . . . . 0.0 108.787 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -57.01 -44.17 82.54 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.439 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 2.3 mt-10 -58.0 -46.86 84.54 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' B' ' 97' ' ' GLN . 5.9 mt -58.63 -50.42 73.92 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.289 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.559 ' NE2' ' O ' ' B' ' 99' ' ' ARG . 1.3 t-160 -66.82 -38.99 87.53 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.505 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -67.2 -41.04 86.48 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 22.5 mt-30 -85.06 -65.96 0.95 Allowed 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.51 -0.743 . . . . 0.0 110.707 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -153.84 109.81 3.27 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.569 ' CG ' ' H ' ' B' ' 99' ' ' ARG . 0.6 OUTLIER -169.29 -137.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.569 ' H ' ' CG ' ' B' ' 98' ' ' GLU . 0.7 OUTLIER -69.73 64.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.525 -0.734 . . . . 0.0 109.113 178.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' B' ' 103' ' ' SER . . . -132.79 -59.83 0.02 OUTLIER Pre-proline 0 C--N 1.289 -2.049 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -44.92 107.61 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 122.71 2.273 . . . . 0.0 110.71 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 104' ' ' LYS . 20.5 mt 59.78 16.86 5.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER 50.62 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.3 mtpm? -138.09 29.95 2.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.755 -1.216 . . . . 0.0 108.096 175.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.44 -62.98 0.17 Allowed 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 121.139 0.495 . . . . 0.0 109.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -58.04 -42.87 95.23 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.191 -2.004 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.259 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 1 N-CA-C 103.028 -4.029 . . . . 0.0 103.028 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -71.53 -25.15 62.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.028 -1.278 . . . . 0.0 108.724 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.83 70.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.731 -0.605 . . . . 0.0 109.45 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -95.95 165.92 12.03 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.59 124.59 4.92 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.58 -141.78 0.24 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.18 70.95 0.01 OUTLIER Glycine 0 C--N 1.278 -2.643 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -119.36 26.09 9.66 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 121.461 -1.023 . . . . 0.0 108.532 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.73 65.68 0.22 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 8' ' ' SER . 8.4 p90 -57.5 137.53 56.15 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.083 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.77 166.1 20.0 Favored 'General case' 0 C--N 1.278 -2.515 0 O-C-N 121.853 -0.529 . . . . 0.0 109.732 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -79.67 166.81 21.44 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -87.26 -167.48 1.9 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.265 -0.897 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CG ' ' HG ' ' B' ' 31' ' ' SER . 54.4 t0 51.62 59.94 4.21 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 121.997 0.903 . . . . 0.0 109.159 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.69 54.88 0.25 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -76.58 -103.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' H ' ' NE2' ' B' ' 33' ' ' GLN . 2.9 mt-10 36.22 44.21 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.171 -0.955 . . . . 0.0 111.671 175.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.32 31.23 2.14 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.808 -1.183 . . . . 0.0 109.322 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.425 ' OH ' ' NZ ' ' B' ' 37' ' ' LYS . 2.2 m-85 -87.8 168.89 12.54 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 120.889 -1.132 . . . . 0.0 109.683 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.48 38.82 1.88 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' HB3' ' CB ' ' A' ' 24' ' ' THR . 3.0 mmp_? -86.49 102.89 14.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 24' ' ' THR . 64.7 m-85 -88.43 173.48 8.68 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 22' ' ' TYR . 0.8 OUTLIER 66.59 -56.24 0.4 Allowed 'General case' 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -172.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 24' ' ' THR . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HG ' ' CG ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' B' ' 28' ' ' GLN . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.662 HD12 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 1.9 m-80 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 57' ' ' ARG . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt -109.96 151.86 26.59 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' B' ' 64' ' ' GLY . . . -125.02 -126.34 3.01 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.33 56.01 0.01 OUTLIER Glycine 0 N--CA 1.504 3.198 0 N-CA-C 106.802 -2.519 . . . . 0.0 106.802 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.53 -6.06 11.18 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 121.779 -0.836 . . . . 0.0 109.284 -171.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -40.37 -37.73 0.71 Allowed 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 121.48 0.657 . . . . 0.0 111.579 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.6 -38.6 62.55 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 72' ' ' GLU . 14.9 tpp180 -62.49 -45.58 92.35 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -50.03 -54.1 9.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -55.92 -43.88 77.78 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.873 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 69' ' ' ARG . 81.7 mt-10 -59.89 -42.4 93.71 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.52 -37.54 80.12 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.65 -45.22 94.99 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.84 -43.14 98.68 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -43.57 98.55 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.36 -42.93 98.93 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -42.99 89.7 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -56.37 23.11 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.94 -41.15 82.16 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.395 -0.816 . . . . 0.0 108.893 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -62.0 -42.54 99.26 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.85 82.6 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.86 74.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.265 -0.897 . . . . 0.0 108.781 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.483 ' ND2' HD22 ' B' ' 84' ' ' ASN . 16.2 m-80 -52.89 -49.88 64.99 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.469 -0.769 . . . . 0.0 108.991 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.38 -52.98 62.6 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -58.69 -41.35 86.03 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.407 0.622 . . . . 0.0 110.143 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 24.3 mt -70.94 -50.96 28.97 Favored 'General case' 0 C--N 1.287 -2.127 0 O-C-N 121.068 -1.02 . . . . 0.0 109.657 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -45.49 86.02 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -58.05 -49.13 77.94 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.027 -1.069 . . . . 0.0 108.346 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 89' ' ' THR . 3.4 mt-10 -62.53 -48.73 78.24 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.273 -0.892 . . . . 0.0 109.365 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -51.72 -49.87 61.65 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 95' ' ' ARG . 5.3 mm-40 -60.21 -40.02 88.65 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 121.573 -0.704 . . . . 0.0 110.298 176.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 44.7 mt -58.51 -34.24 70.72 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.48 -30.43 23.49 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.311 -1.356 . . . . 0.0 110.212 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' A' ' 92' ' ' GLU . 5.0 mtp85 -76.92 -50.64 12.82 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.239 -0.913 . . . . 0.0 109.723 -177.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' A' ' 98' ' ' GLU . 14.1 mt-30 -56.36 -43.21 78.94 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 2.1 mp0 -71.2 11.29 0.45 Allowed 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 96' ' ' GLN . 2.7 mt-10 60.53 -164.46 0.23 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.627 -0.67 . . . . 0.0 112.197 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 55.21 42.99 30.02 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -169.69 -54.1 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 4.9 Cg_exo -35.75 143.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 123.86 3.04 . . . . 0.0 113.354 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.495 ' C ' ' HG ' ' A' ' 103' ' ' SER . 41.7 mt 63.92 -72.65 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.495 ' HG ' ' C ' ' A' ' 102' ' ' LEU . 6.0 m -171.96 116.6 0.37 Allowed 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 37.95 -99.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.495 ' CD2' ' N ' ' A' ' 106' ' ' GLY . 36.1 p90 -167.23 -56.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 175.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.495 ' N ' ' CD2' ' A' ' 105' ' ' PHE . . . 59.61 60.76 8.16 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.182 -2.466 0 O-C-N 121.472 -1.016 . . . . 0.0 108.792 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 1 N-CA-C 102.425 -4.27 . . . . 0.0 102.425 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -76.99 -24.03 52.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.061 -1.258 . . . . 0.0 108.638 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.2 mmt -63.57 79.37 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.665 -0.647 . . . . 0.0 109.717 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -103.38 -179.29 3.91 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.44 123.06 1.73 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 107.907 -2.077 . . . . 0.0 107.907 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' B' ' 7' ' ' GLY . 17.5 t70 -100.17 -152.24 0.42 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.41 -1.053 . . . . 0.0 108.413 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.577 ' H ' ' CG ' ' B' ' 6' ' ' ASP . . . 165.85 55.1 0.03 OUTLIER Glycine 0 C--N 1.293 -1.829 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 6.3 m -103.64 28.55 6.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.299 -1.118 . . . . 0.0 109.917 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 15.1 mp0 -70.78 65.52 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.049 -1.032 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -56.76 136.1 55.29 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.491 0.662 . . . . 0.0 110.005 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 170.29 7.86 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 121.419 0.628 . . . . 0.0 109.579 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -87.66 157.81 19.0 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -73.91 -167.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.664 -0.648 . . . . 0.0 111.186 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.418 ' CG ' ' HG ' ' A' ' 31' ' ' SER . 30.0 t0 49.08 62.18 2.74 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 122.022 0.915 . . . . 0.0 110.179 -177.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.71 52.6 0.3 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -74.4 -98.38 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' SER . 3.5 mt-10 28.06 45.66 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 O-C-N 121.48 -0.762 . . . . 0.0 112.42 175.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.53 38.15 2.04 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 176.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 33' ' ' GLN . 1.5 m-85 -94.5 167.53 11.44 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.767 -1.208 . . . . 0.0 109.972 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.26 35.05 1.51 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -81.76 107.28 14.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' B' ' 24' ' ' THR . 37.5 m-85 -90.25 175.15 7.23 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 67.44 -57.84 0.43 Allowed 'General case' 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.566 ' CG2' HE22 ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.423 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.566 HE22 ' CG2' ' B' ' 24' ' ' THR . 1.4 mp0 -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.54 ' HG ' ' CG ' ' A' ' 14' ' ' ASP . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.425 ' NZ ' ' OH ' ' A' ' 19' ' ' TYR . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.649 HD12 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.662 ' SD ' HD12 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.404 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' B' ' 49' ' ' MET . 1.5 m-80 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 64' ' ' GLY . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 71' ' ' ARG . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' B' ' 67' ' ' ASP . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.483 HD22 ' ND2' ' A' ' 84' ' ' ASN . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 30.6 mt -61.09 -52.54 64.5 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -48.67 75.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.444 -0.785 . . . . 0.0 109.0 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -43.04 81.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.521 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.56 -46.0 84.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.88 -1.138 . . . . 0.0 109.139 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -56.23 -49.69 73.4 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' B' ' 95' ' ' ARG . 4.9 mm-40 -57.77 -41.74 82.64 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.656 -0.652 . . . . 0.0 110.231 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.466 ' O ' ' NE2' ' B' ' 97' ' ' GLN . 31.7 mt -58.14 -32.56 68.29 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 4.0 t-80 -85.87 -29.88 23.35 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.604 -1.238 . . . . 0.0 109.963 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.452 ' HA ' ' HD3' ' B' ' 101' ' ' PRO . 3.9 mtp85 -78.41 -52.06 9.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -56.6 -34.82 67.57 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' B' ' 93' ' ' LEU . 2.0 mp0 -78.72 9.93 3.72 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.22 -167.21 0.14 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.598 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.36 37.88 19.88 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -165.85 -57.14 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.778 -0.576 . . . . 0.0 109.578 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 4.3 Cg_exo -33.08 140.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 123.642 2.895 . . . . 0.0 113.304 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.524 ' C ' ' HG ' ' B' ' 103' ' ' SER . 24.7 mt 65.67 -72.42 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.524 ' HG ' ' C ' ' B' ' 102' ' ' LEU . 1.9 m -171.25 117.32 0.44 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.36 -95.88 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 120.994 0.426 . . . . 0.0 110.232 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 41.2 p90 -172.5 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 52.66 74.02 0.34 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.193 -1.89 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 1 N-CA-C 102.98 -4.048 . . . . 0.0 102.98 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 106.61 9.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.343 -1.093 . . . . 0.0 108.718 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.5 tpt -150.93 161.76 42.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.828 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.04 158.41 43.0 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.29 74.72 0.6 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.569 ' CB ' ' H ' ' B' ' 6' ' ' ASP . 5.8 t0 -85.11 -162.93 0.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.607 -0.937 . . . . 0.0 108.481 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.75 161.01 21.06 Favored Glycine 0 C--N 1.285 -2.293 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.57 179.61 8.06 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.292 -1.123 . . . . 0.0 108.628 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.49 85.5 0.18 Allowed 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -80.56 171.78 14.61 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.62 118.97 23.69 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CD ' ' N ' ' A' ' 12' ' ' GLN . 20.8 mp0 -62.83 -50.78 69.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.358 -0.839 . . . . 0.0 108.949 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 52.34 27.73 5.1 Favored 'General case' 0 N--CA 1.513 2.696 0 CA-C-O 122.196 0.998 . . . . 0.0 108.828 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.92 61.77 3.21 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -65.79 162.7 18.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.16 80.63 0.99 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.97 135.31 52.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -163.65 166.73 22.01 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -125.41 139.05 53.99 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -135.87 -140.79 0.17 Allowed 'General case' 0 C--N 1.266 -3.024 0 N-CA-C 104.287 -2.486 . . . . 0.0 104.287 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -74.11 -171.78 1.22 Allowed 'General case' 0 C--N 1.252 -3.655 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 171.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.27 71.28 0.18 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.4 t-80 -106.59 167.58 9.75 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 -171.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.575 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.462 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 ' HG2' ' A' ' 32' ' ' LYS . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.432 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.586 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.604 ' ND2' HD22 ' B' ' 53' ' ' ASN . 4.7 m-80 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.24 55.33 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -131.55 -61.65 0.09 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 107.678 -2.169 . . . . 0.0 107.678 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 34.76 -86.58 0.01 OUTLIER Glycine 0 N--CA 1.515 3.943 0 O-C-N 122.103 -0.645 . . . . 0.0 111.868 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 69' ' ' ARG . 3.6 m-20 -57.73 -8.78 1.0 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.683 -0.893 . . . . 0.0 110.052 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -26.61 6.14 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.97 52.37 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.3 tpt85 -66.07 -46.89 76.12 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -51.39 -57.66 2.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -56.44 -42.17 77.66 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.02 -39.62 90.44 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.15 -39.63 75.25 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CD ' HH22 ' B' ' 69' ' ' ARG . 1.1 mm-40 -62.09 -40.39 95.67 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.53 -44.02 83.61 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' CD ' HH11 ' A' ' 79' ' ' ARG . 30.0 tp10 -62.36 -38.0 87.84 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.391 -0.818 . . . . 0.0 108.843 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 81' ' ' ARG . 24.5 mt -64.37 -43.28 95.0 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 120.843 -1.161 . . . . 0.0 107.925 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 13.2 m-20 -65.27 -35.37 80.81 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' ' 76' ' ' GLU . 9.0 ttt180 -58.85 -52.45 65.66 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 175.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 16.7 mt -63.21 -37.33 86.8 Favored 'General case' 0 C--O 1.193 -1.921 0 O-C-N 121.32 -0.862 . . . . 0.0 108.829 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.499 ' HD2' ' HA ' ' A' ' 78' ' ' ASP . 59.5 mtt180 -63.73 -34.62 78.28 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -52.89 59.98 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.558 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 25.8 m-80 -50.84 -46.55 60.17 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -53.25 60.44 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -51.41 -44.62 62.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.618 -0.676 . . . . 0.0 109.626 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 13.6 mt -74.97 -47.71 28.01 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.752 -0.592 . . . . 0.0 110.287 -175.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -46.09 91.72 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.292 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.78 -47.9 76.45 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.709 -1.244 . . . . 0.0 109.793 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.6 -46.41 87.07 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 13.1 mm-40 -61.52 -38.92 89.15 Favored 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.732 -0.605 . . . . 0.0 109.614 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.577 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -59.47 -46.17 89.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -64.41 -36.02 82.81 Favored 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.097 178.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -84.01 -41.37 17.32 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.347 0.594 . . . . 0.0 111.094 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.438 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 13.7 mt-30 -68.7 -44.31 74.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.21 -0.931 . . . . 0.0 110.132 -174.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.577 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -123.34 -156.69 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' HG3' ' CD ' ' A' ' 99' ' ' ARG . 2.8 tp10 48.66 -94.86 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.531 HH21 ' CD ' ' B' ' 98' ' ' GLU . 16.2 mmm180 -85.57 45.44 1.2 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.103 -0.998 . . . . 0.0 108.604 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -53.95 -63.65 2.46 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 10.0 Cg_endo -50.83 118.6 4.33 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.886 2.39 . . . . 0.0 111.404 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.45 -47.25 69.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.4 m -86.13 104.31 15.6 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' CB ' ' NH2' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.54 67.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.782 -1.199 . . . . 0.0 109.764 -175.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -53.78 114.08 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.76 50.01 0.02 OUTLIER Glycine 0 C--N 1.276 -2.764 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.183 -2.42 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -173.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 1 N-CA-C 102.999 -4.04 . . . . 0.0 102.999 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.22 6.09 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt -159.52 161.27 35.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.091 -1.005 . . . . 0.0 110.028 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.95 166.88 29.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.03 69.0 1.43 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.569 ' H ' ' CB ' ' A' ' 6' ' ' ASP . 5.1 t0 -81.62 -176.0 5.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.956 . . . . 0.0 108.778 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.91 165.35 43.62 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.45 178.54 7.35 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.147 -1.208 . . . . 0.0 108.297 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -68.27 77.85 0.25 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.483 ' O ' ' NE2' ' B' ' 12' ' ' GLN . 36.9 p90 -68.92 171.56 7.85 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -83.69 119.44 24.78 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' B' ' 12' ' ' GLN . 16.3 mp0 -66.12 -45.45 81.08 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.334 -0.854 . . . . 0.0 109.478 -176.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 48.62 31.02 2.74 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.45 57.49 1.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.17 164.85 4.84 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 109.358 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.38 77.39 0.55 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.36 138.01 7.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.476 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -167.59 159.34 12.0 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -121.44 141.41 51.02 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -136.41 -142.88 0.18 Allowed 'General case' 0 C--N 1.27 -2.869 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 175.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.0 OUTLIER -73.29 -169.22 0.61 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 171.226 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -67.07 63.2 0.05 Allowed 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.611 -1.625 . . . . 0.0 106.611 174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.9 OUTLIER -100.18 172.26 7.29 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 -171.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.484 HG21 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.6 mm-40 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.453 ' HG ' ' CG ' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.453 ' CG ' ' HG ' ' B' ' 31' ' ' SER . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' B' ' 32' ' ' LYS . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.462 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.424 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.424 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.604 HD22 ' ND2' ' A' ' 53' ' ' ASN . 2.8 m-80 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.479 ' CD ' HH22 ' A' ' 69' ' ' ARG . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.468 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.558 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 17.9 m-80 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 17.3 mt -77.91 -48.4 16.44 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.82 -46.71 86.69 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -47.04 81.2 Favored 'General case' 0 C--N 1.287 -2.114 0 O-C-N 121.234 -0.917 . . . . 0.0 108.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.69 -50.46 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.062 -1.024 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -54.05 -49.05 69.87 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.02 -36.63 82.15 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 121.464 -0.773 . . . . 0.0 109.962 176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.558 ' HA ' ' NE2' ' B' ' 97' ' ' GLN . 5.5 mt -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.506 ' ND1' ' C ' ' B' ' 94' ' ' HIS . 0.0 OUTLIER -63.51 -36.31 83.36 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.119 178.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -85.18 -37.18 20.45 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 111.767 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.483 ' HB2' ' NE2' ' B' ' 97' ' ' GLN . 22.1 mt-30 -71.84 -45.51 61.17 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 -174.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.558 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 1.4 pm0 -122.02 -154.57 0.6 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.531 ' CD ' HH21 ' A' ' 99' ' ' ARG . 1.2 tp10 46.5 -97.1 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.483 ' CD ' ' HG3' ' B' ' 98' ' ' GLU . 14.8 mmm180 -82.9 47.46 1.22 Allowed 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 108.671 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.485 ' CB ' ' CD ' ' B' ' 101' ' ' PRO . . . -56.81 -64.46 2.47 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 8.5 Cg_endo -50.19 121.01 6.91 Favored 'Trans proline' 0 C--N 1.327 -0.587 0 C-N-CA 122.761 2.307 . . . . 0.0 110.907 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -51.81 66.1 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.8 OUTLIER -79.91 101.27 8.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 175.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 74.12 0.14 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.695 -176.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -63.37 87.85 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.287 -0.883 . . . . 0.0 109.517 -179.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.07 18.89 0.23 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 107.742 -2.143 . . . . 0.0 107.742 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.191 -2.005 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 1 N-CA-C 102.775 -4.13 . . . . 0.0 102.775 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.26 156.19 30.25 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 3' ' ' MET . 3.6 mpp? -74.68 166.58 23.34 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.62 172.05 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.402 -0.811 . . . . 0.0 109.678 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 14.5 26.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.95 -172.14 0.99 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.099 -1.236 . . . . 0.0 109.041 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 125.11 2.44 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.74 111.97 22.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.303 -1.116 . . . . 0.0 109.418 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.19 115.51 21.32 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -91.79 148.67 22.06 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.541 -0.725 . . . . 0.0 109.422 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.31 162.46 35.65 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -107.27 138.65 43.06 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 109.1 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -94.15 62.28 3.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.45 -176.56 0.24 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.544 -0.723 . . . . 0.0 109.234 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -49.86 105.73 0.1 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.61 86.98 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' CD ' ' HZ1' ' B' ' 32' ' ' LYS . 24.5 mt-10 55.26 -171.01 0.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.12 0.962 . . . . 0.0 111.412 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.67 177.27 4.9 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' ARG . 62.3 m-85 -87.51 -177.76 5.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 2.3 pm0 -66.35 50.65 0.04 OUTLIER 'General case' 0 C--N 1.282 -2.329 0 O-C-N 121.754 -0.592 . . . . 0.0 110.839 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' TYR . 22.7 mmt180 -58.91 118.73 6.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -34.17 141.21 0.05 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 122.944 0.498 . . . . 0.0 111.164 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 70.57 -56.7 0.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.453 HG21 ' NE2' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.496 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.651 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.571 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.586 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 61' ' ' LYS . 10.6 mt -124.93 104.63 8.69 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.09 149.76 18.81 Favored Glycine 0 N--CA 1.493 2.455 0 O-C-N 120.901 -1.125 . . . . 0.0 111.071 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 66' ' ' ASP . . . 63.76 -90.16 0.08 OUTLIER Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 67' ' ' ASP . 3.0 t70 133.39 161.92 0.0 OUTLIER 'General case' 0 N--CA 1.529 3.498 0 C-N-CA 124.913 1.285 . . . . 0.0 108.701 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 10.1 t70 -52.69 -13.34 0.39 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 123.214 0.606 . . . . 0.0 110.502 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.65 15.87 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.791 -1.193 . . . . 0.0 107.944 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.524 HH21 ' CD ' ' A' ' 72' ' ' GLU . 2.2 tpm_? -59.92 -41.37 91.57 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.27 -55.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -56.34 -37.05 69.46 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.934 -0.479 . . . . 0.0 109.951 -179.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' CD ' HH21 ' A' ' 69' ' ' ARG . 40.3 mt-10 -59.17 -48.23 82.38 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.003 -1.06 . . . . 0.0 108.172 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.84 -36.39 83.33 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.7 -46.74 86.64 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.24 -46.41 90.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 108.977 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.49 -41.88 95.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' HG ' ' HG ' ' B' ' 77' ' ' LEU . 17.6 mt -60.36 -51.45 69.45 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 81' ' ' ARG . 77.3 m-20 -59.52 -34.1 72.2 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.427 HH11 ' CD ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -61.07 -52.22 65.87 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 176.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.2 -38.12 82.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.492 -0.755 . . . . 0.0 109.24 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 78' ' ' ASP . 28.7 mtp180 -62.26 -34.5 76.66 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.75 -50.23 74.64 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' CD ' HH11 ' A' ' 79' ' ' ARG . 4.4 mt-10 -65.14 -50.12 67.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' ND2' HD22 ' B' ' 84' ' ' ASN . 11.5 m-80 -49.43 -48.74 47.16 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.93 -52.91 62.47 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -49.6 70.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.633 -0.667 . . . . 0.0 109.467 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.4 mt -70.03 -49.6 49.66 Favored 'General case' 0 C--N 1.28 -2.435 0 O-C-N 121.513 -0.742 . . . . 0.0 110.365 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -46.94 79.82 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.112 -0.993 . . . . 0.0 109.221 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -42.31 74.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.842 -1.161 . . . . 0.0 108.089 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.48 -30.47 70.18 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.04 -47.49 74.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.72 -47.32 73.9 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.494 ' HA ' HE22 ' A' ' 97' ' ' GLN . 68.7 mt -58.75 -58.97 6.25 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.468 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.521 ' HE2' ' CD ' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -50.25 -40.15 47.0 Favored 'General case' 0 C--N 1.259 -3.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.902 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -43.88 31.67 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 33.0 mt-30 -71.27 -53.14 15.32 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.494 HE22 ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.59 122.7 1.73 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.562 ' CD ' ' HE2' ' B' ' 94' ' ' HIS . 1.8 tm-20 -69.24 -165.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 43.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.387 -0.821 . . . . 0.0 109.429 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -66.76 -60.37 6.48 Favored Pre-proline 0 C--N 1.301 -1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.281 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 10.5 Cg_endo -52.04 47.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 124.025 3.15 . . . . 0.0 113.751 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 100' ' ' ALA . 9.5 mt -139.56 138.88 36.64 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -46.45 38.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.504 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -119.81 77.75 1.26 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.813 -0.554 . . . . 0.0 109.522 -178.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 106' ' ' GLY . 26.8 t80 -63.89 171.12 2.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 105' ' ' PHE . . . -87.95 60.54 4.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.506 2.364 0 O-C-N 121.593 -0.946 . . . . 0.0 109.405 178.645 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.886 1 N-CA-C 102.45 -4.26 . . . . 0.0 102.45 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.35 161.84 41.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' B' ' 3' ' ' MET . 3.9 mpp? -73.67 161.83 29.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 155.62 8.47 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.63 -0.669 . . . . 0.0 109.497 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.95 17.73 75.69 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 177.1 7.86 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.017 -1.284 . . . . 0.0 108.858 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.93 134.37 2.11 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.14 112.16 17.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.522 -0.987 . . . . 0.0 108.895 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -83.15 125.11 31.17 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -100.26 146.18 27.21 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.81 173.48 11.53 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -116.52 136.57 52.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.144 -0.973 . . . . 0.0 109.673 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -96.97 60.74 1.75 Allowed 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -165.3 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.641 -0.662 . . . . 0.0 110.367 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -56.12 99.57 0.03 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.486 -0.759 . . . . 0.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.92 91.87 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 32' ' ' LYS . 18.5 mt-10 55.28 -173.24 0.05 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.747 0.784 . . . . 0.0 111.475 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 174.04 6.04 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' B' ' 21' ' ' ARG . 60.5 m-85 -83.3 -179.54 7.41 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.597 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -64.92 52.34 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.379 0.609 . . . . 0.0 110.867 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' TYR . 22.7 mmt180 -59.94 119.25 7.38 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -33.98 139.07 0.07 Allowed 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.231 0.538 . . . . 0.0 110.921 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 70.47 -53.98 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.466 HG21 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.466 ' NE2' HG21 ' B' ' 24' ' ' THR . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 28' ' ' GLN . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.446 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.572 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.586 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.5 m-80 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.572 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.651 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LYS . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' CG ' ' N ' ' B' ' 67' ' ' ASP . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.581 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.581 ' CD ' HH21 ' B' ' 69' ' ' ARG . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' HG ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.45 HD22 ' ND2' ' A' ' 84' ' ' ASN . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.7 mt -68.41 -50.69 51.02 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -46.86 83.07 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 109.45 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -44.0 75.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.411 ' CD ' HH12 ' B' ' 99' ' ' ARG . 1.7 mm-40 -65.44 -32.27 73.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.068 -1.02 . . . . 0.0 108.463 176.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -63.04 -47.92 80.95 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.44 ' C ' HE21 ' B' ' 96' ' ' GLN . 4.6 mm-40 -55.51 -47.83 75.61 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.497 ' HA ' HE22 ' B' ' 97' ' ' GLN . 82.6 mt -58.79 -58.33 9.09 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.401 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.562 ' HE2' ' CD ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -50.76 -38.3 47.02 Favored 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -48.24 19.82 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.44 HE21 ' C ' ' B' ' 92' ' ' GLU . 20.6 mt-30 -70.77 -45.36 64.87 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.497 HE22 ' HA ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -171.62 120.16 0.47 Allowed 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.521 ' CD ' ' HE2' ' A' ' 94' ' ' HIS . 2.0 tm-20 -68.26 -167.34 0.08 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.411 HH12 ' CD ' ' B' ' 90' ' ' GLU . 0.0 OUTLIER -66.17 43.67 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.077 177.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -65.47 -60.64 7.2 Favored Pre-proline 0 C--N 1.303 -1.427 0 O-C-N 121.002 -1.061 . . . . 0.0 108.968 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 10.6 Cg_endo -52.4 48.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 123.767 2.978 . . . . 0.0 113.614 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' B' ' 100' ' ' ALA . 7.0 mt -143.9 122.87 12.78 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -42.71 97.06 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-O 121.34 0.59 . . . . 0.0 109.738 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 105' ' ' PHE . 0.5 OUTLIER -119.63 75.52 1.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.336 -0.853 . . . . 0.0 109.434 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 29.7 t80 -63.4 169.56 3.64 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.575 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . -88.49 64.68 3.46 Favored Glycine 0 C--N 1.287 -2.155 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 1 N-CA-C 102.923 -4.071 . . . . 0.0 102.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.48 95.05 2.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.07 -44.7 88.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.646 -0.659 . . . . 0.0 110.13 -177.013 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.34 -57.44 0.24 Allowed 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -73.2 54.87 1.88 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.8 9.21 19.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.359 -1.083 . . . . 0.0 109.144 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -72.82 56.96 1.75 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.7 38.59 0.05 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -1.184 . . . . 0.0 110.09 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.8 mt-10 -55.27 149.06 13.39 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -86.27 152.27 22.92 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.82 137.3 52.23 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.05 -63.63 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.55 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.72 30.17 8.49 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.23 15.91 4.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' SER . 5.0 m-85 -46.56 -30.16 2.13 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.174 -0.954 . . . . 0.0 109.649 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER 17.01 -100.25 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.66 39.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.666 -1.272 . . . . 0.0 111.708 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.38 53.47 0.67 Allowed 'General case' 0 C--N 1.286 -2.185 0 O-C-N 120.746 -1.221 . . . . 0.0 107.993 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.548 ' C ' ' H ' ' A' ' 21' ' ' ARG . 54.2 m-85 -81.97 170.43 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.29 36.44 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.21 -0.931 . . . . 0.0 111.067 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -121.18 57.59 0.99 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 173.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' HIS . 89.3 m-85 -38.25 -32.75 0.07 Allowed 'General case' 0 C--N 1.266 -3.062 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.866 -173.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' TYR . 86.1 m-70 -47.42 -37.38 11.38 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 HG21 ' NE2' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' B' ' 36' ' ' ILE . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.661 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.588 HD22 ' ND2' ' B' ' 53' ' ' ASN . 10.2 m-80 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.7 mt -130.11 161.94 29.94 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.03 -100.19 0.22 Allowed Glycine 1 N--CA 1.517 4.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.45 134.67 16.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 104.921 -3.272 . . . . 0.0 104.921 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASP . 9.8 p-10 -75.85 171.66 14.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 118.4 1.1 . . . . 0.0 110.116 -174.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ALA . 0.7 OUTLIER -40.06 -60.57 1.01 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.037 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' ASP . . . -36.15 -40.71 0.23 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.526 -0.734 . . . . 0.0 109.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -53.31 44.32 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.1 t -54.19 -60.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 122.045 0.926 . . . . 0.0 108.953 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.581 HH21 ' CD ' ' A' ' 74' ' ' GLU . 2.2 tpm_? -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.425 -175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.17 -42.44 98.57 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.069 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.69 -39.69 88.21 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.581 ' CD ' HH21 ' A' ' 71' ' ' ARG . 43.5 mt-10 -59.42 -51.39 70.1 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 120.952 -1.093 . . . . 0.0 108.193 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.84 -39.75 82.19 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.04 81.81 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.79 -39.18 84.06 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -59.41 -42.6 92.15 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.89 -54.12 43.64 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 11.8 mt -56.66 -44.16 81.07 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.613 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -61.41 -38.86 88.63 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.12 90.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.9 -49.97 70.56 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -52.03 -48.75 64.4 Favored 'General case' 0 C--O 1.19 -2.028 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -55.4 -57.3 12.44 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 14.5 mm100 -52.95 -46.53 68.22 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-O 121.442 0.639 . . . . 0.0 110.511 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 4.5 mt -75.86 -55.23 5.83 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.995 -1.066 . . . . 0.0 110.501 -176.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.7 -51.93 67.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 108.788 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -43.35 67.46 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.637 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -37.0 84.0 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.8 t-20 -57.42 -49.27 76.78 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -58.86 -46.6 87.36 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.418 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 78.1 mt -58.62 -28.65 65.84 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.221 -0.924 . . . . 0.0 109.131 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -84.63 -44.97 12.97 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.695 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.469 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 6.6 mtt180 -66.48 -56.36 11.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.806 0.813 . . . . 0.0 110.224 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.446 ' HB2' HE22 ' A' ' 97' ' ' GLN . 27.3 mt-30 -52.72 -26.92 15.5 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.446 -0.784 . . . . 0.0 109.117 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 HE22 ' HB2' ' A' ' 96' ' ' GLN . 2.8 mp0 -92.76 13.83 19.05 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.689 -0.632 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -72.06 162.13 29.9 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.977 -1.077 . . . . 0.0 108.352 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 43.56 35.64 1.02 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.827 -0.545 . . . . 0.0 109.696 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -116.2 -65.49 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 109.588 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 9.7 Cg_endo -49.98 45.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.131 3.221 . . . . 0.0 114.667 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 100' ' ' ALA . 4.6 mm? -101.21 52.13 0.84 Allowed 'General case' 0 C--N 1.279 -2.487 0 O-C-N 121.007 -1.058 . . . . 0.0 108.742 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -63.0 1.14 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.82 -1.175 . . . . 0.0 108.488 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.45 114.63 26.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.73 91.7 2.41 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.38 -139.34 0.91 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.5 2.068 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 1 N-CA-C 102.771 -4.131 . . . . 0.0 102.771 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.94 101.04 4.08 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 5' ' ' GLY . 1.5 mmm -69.86 -49.95 47.34 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.74 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' B' ' 6' ' ' ASP . . . 64.69 -53.91 0.29 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -73.9 40.88 1.02 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 4' ' ' ALA . 7.4 m-20 -73.03 2.73 6.44 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.602 -0.94 . . . . 0.0 111.164 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 9' ' ' GLU . . . -66.38 55.36 0.19 Allowed Glycine 0 N--CA 1.497 2.762 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.468 ' N ' ' O ' ' B' ' 6' ' ' ASP . 0.7 OUTLIER -71.93 43.44 0.1 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.299 . . . . 0.0 109.176 178.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 7' ' ' GLY . 4.9 mt-10 -62.84 155.83 25.81 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -93.92 144.4 25.48 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 mp -111.84 126.23 54.86 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -51.68 -66.89 0.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.027 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 55.39 32.81 19.57 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.04 11.08 12.43 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.002 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' B' ' 16' ' ' SER . 5.9 m-85 -41.74 -35.93 0.89 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.45 ' C ' ' O ' ' B' ' 15' ' ' PHE . 0.8 OUTLIER 21.05 -103.45 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' B' ' 16' ' ' SER . 21.4 mm-40 -66.24 39.76 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.969 -1.082 . . . . 0.0 111.606 -176.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.449 ' H ' ' C ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -74.13 51.54 0.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.737 -1.227 . . . . 0.0 108.212 176.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.54 ' C ' ' H ' ' B' ' 21' ' ' ARG . 55.4 m-85 -81.19 175.39 10.67 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.01 32.06 0.07 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.657 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.54 ' H ' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -114.67 61.1 0.68 Allowed 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 174.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -40.82 -31.06 0.14 Allowed 'General case' 0 C--N 1.259 -3.342 0 CA-C-N 113.161 -1.836 . . . . 0.0 111.696 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -47.87 -38.53 16.42 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.444 HG21 ' NE2' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.496 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.499 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' B' ' 27' ' ' LEU . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 27' ' ' LEU . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.661 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 47' ' ' SER . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 53' ' ' ASN . 11.2 m-80 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.493 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' B' ' 61' ' ' LYS . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 5.7 mt -77.14 -56.62 4.42 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -49.73 74.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.313 -0.867 . . . . 0.0 108.931 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -45.1 78.75 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -37.14 85.08 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.055 -1.028 . . . . 0.0 109.228 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.504 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 7.5 t-20 -59.84 -47.72 84.59 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.426 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 24.6 mt-10 -59.15 -45.88 89.82 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.427 ' O ' ' NE2' ' B' ' 97' ' ' GLN . 84.2 mt -58.83 -29.56 67.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.447 -0.783 . . . . 0.0 109.237 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -83.64 -44.09 14.92 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.789 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.504 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt180 -66.61 -57.24 7.62 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.867 0.842 . . . . 0.0 110.257 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 24.1 mt-30 -53.72 -29.04 37.56 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.198 -0.939 . . . . 0.0 108.862 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 93' ' ' LEU . 2.6 mp0 -90.11 14.23 12.96 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.37 158.92 29.85 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.831 -1.168 . . . . 0.0 107.973 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 47.66 36.98 6.1 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -114.59 -67.35 0.03 OUTLIER Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.417 -0.802 . . . . 0.0 110.432 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 9.8 Cg_endo -48.5 39.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.514 2.708 0 C-N-CA 124.496 3.464 . . . . 0.0 115.7 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 100' ' ' ALA . 4.5 mm? -91.1 52.92 2.23 Favored 'General case' 0 C--N 1.273 -2.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.367 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -62.58 1.37 Allowed 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -95.78 112.76 24.41 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.18 91.5 0.71 Allowed 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.449 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.16 -134.82 2.8 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.5 2.033 0 CA-C-N 117.831 0.816 . . . . 0.0 109.499 178.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 1 N-CA-C 102.975 -4.05 . . . . 0.0 102.975 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' MET . . . 52.62 55.75 8.61 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.872 . . . . 0.0 108.686 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' ALA . 71.1 mtp -41.95 -58.91 1.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 6' ' ' ASP . . . -100.12 111.08 23.36 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.76 71.55 0.27 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 107.238 -2.345 . . . . 0.0 107.238 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' ALA . 9.8 t70 -42.44 112.99 0.4 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 122.049 -0.677 . . . . 0.0 110.431 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 -7.9 88.08 Favored Glycine 0 C--N 1.287 -2.184 0 N-CA-C 107.111 -2.396 . . . . 0.0 107.111 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 -174.57 0.13 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -108.6 119.08 38.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.293 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -78.8 175.15 10.75 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.446 0.641 . . . . 0.0 109.465 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -128.28 166.47 18.55 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.81 126.23 21.43 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.247 -0.981 . . . . 0.0 108.392 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.69 18.56 21.71 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.558 -0.714 . . . . 0.0 109.774 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' SER . 12.8 p-10 -78.73 50.46 0.99 Allowed 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -61.76 65.65 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.934 0.873 . . . . 0.0 109.146 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -91.56 53.43 2.26 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HA ' ' HE2' ' B' ' 37' ' ' LYS . 3.5 mm-40 -63.17 90.53 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.617 -0.677 . . . . 0.0 109.669 -175.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 p -72.55 58.37 0.42 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.634 -0.666 . . . . 0.0 109.221 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.7 157.15 28.98 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.925 -1.109 . . . . 0.0 108.97 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 37.9 mt-10 -132.68 81.47 1.95 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 121.685 0.755 . . . . 0.0 109.026 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' NH1' ' HA ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -142.88 113.63 7.51 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.168 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' THR . 2.8 m-85 -46.86 -52.65 13.86 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.415 -0.914 . . . . 0.0 108.763 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 -36.98 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 122.747 0.419 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.513 HG22 ' NE2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.512 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.512 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.1 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' CB ' HE22 ' B' ' 12' ' ' GLN . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.461 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.554 ' ND2' HD22 ' B' ' 53' ' ' ASN . 14.1 m-80 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD2' ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.613 ' NE ' ' HA ' ' A' ' 57' ' ' ARG . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt -120.92 165.75 14.78 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -147.63 -156.29 6.95 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 107.389 -2.284 . . . . 0.0 107.389 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.9 96.09 0.15 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -169.12 -1.1 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -47.54 -37.79 12.87 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.484 -0.76 . . . . 0.0 110.419 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.92 65.0 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -59.77 -43.94 94.11 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' B' ' 66' ' ' ASP . 80.5 t -49.93 -55.85 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -54.99 -45.1 74.99 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.96 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.32 -42.42 91.38 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.44 -37.95 83.79 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.188 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.57 -44.77 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -0.988 . . . . 0.0 108.516 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.39 -43.0 97.06 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 79' ' ' ARG . 31.6 tp10 -59.86 -48.41 81.79 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 mt -55.19 -49.79 71.02 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.16 -35.17 76.39 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.77 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.483 HH22 ' CD ' ' A' ' 76' ' ' GLU . 2.4 ttp85 -62.59 -53.12 59.41 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.37 -43.35 75.02 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.73 -34.39 74.34 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.58 96.31 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -70.54 -51.76 26.41 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' ND2' HD22 ' B' ' 84' ' ' ASN . 17.2 m-80 -48.35 -51.46 26.2 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.35 -56.41 20.4 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.32 -39.56 72.98 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.0 mt -78.1 -51.15 10.72 Favored 'General case' 0 C--N 1.288 -2.109 0 O-C-N 121.042 -1.036 . . . . 0.0 109.712 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -51.2 70.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.319 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -43.75 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.939 -1.1 . . . . 0.0 108.847 176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 5.7 t-20 -58.27 -47.72 82.72 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.09 -42.12 89.71 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.394 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 97' ' ' GLN . 18.2 mt -61.42 -26.02 67.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' B' ' 94' ' ' HIS . 0.7 OUTLIER -85.73 -24.55 26.89 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.148 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.528 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.3 mmp_? -86.31 -40.11 15.82 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.198 -0.939 . . . . 0.0 111.279 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -85.29 -48.24 9.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -168.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 16.6 mp0 -62.28 -152.72 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.521 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 27.3 mt-10 -53.3 -109.83 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.786 0 O-C-N 121.049 -1.032 . . . . 0.0 112.562 -173.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' NH1' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -70.79 78.6 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -142.34 -62.3 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.659 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 98' ' ' GLU . 4.7 Cg_exo -40.22 144.69 0.38 Allowed 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 123.494 2.796 . . . . 0.0 111.533 176.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' C ' ' HG ' ' A' ' 103' ' ' SER . 15.0 mt 59.59 -152.02 0.4 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 102' ' ' LEU . 1.8 m -169.7 -165.84 0.53 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.96 42.03 30.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.605 -0.685 . . . . 0.0 109.653 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.58 -40.31 82.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 105.547 -2.019 . . . . 0.0 105.547 176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.07 -175.08 20.81 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 106.278 -2.729 . . . . 0.0 106.278 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.178 -2.701 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 1 N-CA-C 102.92 -4.072 . . . . 0.0 102.92 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.92 57.78 6.17 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.315 -1.109 . . . . 0.0 109.761 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtp -44.23 -48.13 9.34 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . -109.89 112.23 24.13 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.72 67.84 1.03 Allowed Glycine 0 C--N 1.287 -2.164 0 N-CA-C 107.134 -2.387 . . . . 0.0 107.134 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' B' ' 8' ' ' SER . 1.6 t70 -45.1 123.7 4.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.939 -0.742 . . . . 0.0 109.715 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 2.49 79.36 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 107.39 -2.284 . . . . 0.0 107.39 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' B' ' 6' ' ' ASP . 3.5 m 55.76 -170.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -113.35 107.6 16.09 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.818 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -66.01 176.36 1.7 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.772 0.796 . . . . 0.0 109.995 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.04 165.37 22.34 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.456 HE22 ' CB ' ' A' ' 31' ' ' SER . 1.1 mp0 -46.19 138.04 5.67 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -117.99 22.38 12.28 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.466 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 16' ' ' SER . 17.7 p-10 -88.17 57.8 4.46 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -69.56 52.71 0.11 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.739 0.781 . . . . 0.0 108.975 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.443 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.6 OUTLIER -76.99 60.18 1.77 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.731 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.437 ' CD ' ' HZ1' ' A' ' 37' ' ' LYS . 3.9 mm-40 -66.91 89.94 0.17 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.011 -1.056 . . . . 0.0 109.257 -175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -69.24 59.4 0.11 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.637 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.88 160.95 25.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.385 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.481 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 24.4 mt-10 -135.43 83.67 2.04 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -142.62 114.96 8.42 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' B' ' 25' ' ' GLU . 2.7 m-85 -49.48 -52.86 26.5 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 120.851 -1.156 . . . . 0.0 108.569 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.416 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 -36.65 -29.85 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 122.699 0.399 . . . . 0.0 111.262 178.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.517 HG22 ' NE2' ' B' ' 28' ' ' GLN . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.507 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.507 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' B' ' 23' ' ' HIS . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.517 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.509 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.554 HD22 ' ND2' ' A' ' 53' ' ' ASN . 11.1 m-80 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.434 ' CD2' ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.603 ' NE ' ' HA ' ' B' ' 57' ' ' ARG . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.448 ' HB3' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.476 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.476 HH22 ' CD ' ' B' ' 76' ' ' GLU . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.426 ' O ' ' NE2' ' B' ' 86' ' ' GLN . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.455 HD22 ' ND2' ' A' ' 84' ' ' ASN . 11.8 m-80 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 82' ' ' ALA . 1.3 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.8 mt -72.74 -51.11 20.51 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -51.75 68.58 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -42.7 73.38 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.065 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.68 -42.29 98.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.09 -1.007 . . . . 0.0 109.496 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.526 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -61.72 -46.49 89.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.401 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 40.5 mt-10 -58.97 -42.18 89.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.467 -0.771 . . . . 0.0 110.23 174.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.419 ' HA ' ' OE1' ' B' ' 97' ' ' GLN . 15.6 mt -60.25 -25.96 66.07 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -85.7 -27.04 25.56 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.526 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 2.0 mmp_? -86.25 -39.14 16.87 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.093 -1.004 . . . . 0.0 111.829 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 5.8 mt-30 -85.6 -49.29 8.13 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -169.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' B' ' 97' ' ' GLN . 15.3 mp0 -58.72 -152.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -167.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.524 ' HB3' ' NH1' ' B' ' 99' ' ' ARG . 13.4 mt-10 -56.89 -103.81 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.951 0 O-C-N 120.662 -1.274 . . . . 0.0 112.367 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.524 ' NH1' ' HB3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -71.52 69.24 0.6 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.45 ' HB3' ' C ' ' B' ' 95' ' ' ARG . . . -133.44 -63.01 0.02 OUTLIER Pre-proline 0 C--N 1.288 -2.088 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.362 -174.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.441 ' HD2' ' H ' ' B' ' 100' ' ' ALA . 6.0 Cg_exo -38.43 141.27 0.31 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 123.742 2.961 . . . . 0.0 112.01 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.499 ' C ' ' HG ' ' B' ' 103' ' ' SER . 13.1 mt 60.25 -157.33 0.33 Allowed 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.499 ' HG ' ' C ' ' B' ' 102' ' ' LEU . 10.8 m -165.63 -175.62 3.57 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 45.98 20.33 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.587 -0.696 . . . . 0.0 109.684 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -58.57 -38.45 77.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.89 -178.6 20.04 Favored Glycine 0 C--N 1.295 -1.721 0 N-CA-C 106.105 -2.798 . . . . 0.0 106.105 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.189 -2.095 0 O-C-N 121.021 -1.282 . . . . 0.0 109.269 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 103.258 -3.937 . . . . 0.0 103.258 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 163.92 27.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.799 -1.412 . . . . 0.0 108.356 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 4' ' ' ALA . 0.4 OUTLIER -115.35 141.71 47.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' SD ' ' A' ' 3' ' ' MET . . . -146.35 142.61 28.41 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 70.81 0.01 OUTLIER Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.35 -55.63 23.26 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.421 -1.046 . . . . 0.0 108.943 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -106.42 0.22 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m 56.03 -148.35 0.49 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.227 -1.161 . . . . 0.0 108.756 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.53 139.84 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -109.39 121.83 46.04 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.26 116.93 13.28 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 166.81 22.31 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -155.64 58.13 0.62 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.264 -0.898 . . . . 0.0 110.325 -178.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.99 48.2 0.09 Allowed 'General case' 0 N--CA 1.514 2.775 0 O-C-N 121.114 -0.992 . . . . 0.0 108.398 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -88.97 175.46 7.41 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.032 -1.042 . . . . 0.0 109.697 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 18' ' ' THR . 5.2 t -172.76 86.76 0.07 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.7 38.37 0.05 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.588 ' H ' ' C ' ' A' ' 16' ' ' SER . 1.8 p -94.44 66.21 3.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -113.24 142.51 45.73 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.183 0.992 . . . . 0.0 111.355 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.81 51.69 0.18 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 10.0 mmt180 -97.66 154.19 17.73 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 121.33 -0.856 . . . . 0.0 110.44 -170.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 24' ' ' THR . 30.1 m-85 -142.54 -114.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.41 -9.57 1.65 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.969 -1.082 . . . . 0.0 108.096 173.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.53 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 24' ' ' THR . 1.5 mp0 -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 27' ' ' LEU . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' HB2' ' NH2' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HE3' ' B' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HE2' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' ND2' ' ND2' ' B' ' 53' ' ' ASN . 14.7 m-80 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.555 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.555 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt -120.57 137.2 54.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -127.41 153.11 19.02 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.54 32.44 2.11 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 64' ' ' GLY . 1.2 m-20 -75.77 -13.34 60.29 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.267 -1.137 . . . . 0.0 109.803 -175.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -42.12 -40.9 2.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.984 -0.447 . . . . 0.0 110.925 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.07 -33.42 59.56 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.087 -1.008 . . . . 0.0 108.392 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -58.42 -45.35 88.61 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 176.207 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' B' ' 66' ' ' ASP . 13.0 t -52.19 -57.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' CZ ' ' CB ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.86 -41.63 98.08 Favored 'General case' 0 C--N 1.283 -2.296 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.525 -175.251 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.542 ' CD ' HH12 ' A' ' 69' ' ' ARG . 30.5 mt-10 -63.22 -41.51 99.14 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.384 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.36 -42.77 96.03 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.938 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.54 -35.73 78.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.017 -1.052 . . . . 0.0 109.038 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.13 -46.35 81.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.552 ' CD ' HH21 ' A' ' 79' ' ' ARG . 3.1 tp10 -65.44 -35.02 79.68 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.57 -55.72 24.62 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.008 -1.057 . . . . 0.0 108.357 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.82 -40.96 66.86 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.552 HH21 ' CD ' ' A' ' 76' ' ' GLU . 5.9 tmm_? -55.23 -52.88 61.96 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' B' ' 81' ' ' ARG . 19.0 mt -63.06 -46.39 87.71 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.447 ' NH1' HD11 ' B' ' 80' ' ' LEU . 0.2 OUTLIER -57.71 -36.6 72.21 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -60.0 -52.12 66.75 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 1.7 mt-10 -63.14 -47.52 82.37 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.465 -0.772 . . . . 0.0 109.492 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -49.16 -53.26 21.81 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 tp -57.31 -52.97 63.18 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -53.26 -46.2 69.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.619 -0.676 . . . . 0.0 109.793 -178.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.74 -49.48 30.78 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.301 -0.875 . . . . 0.0 109.926 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -46.94 85.73 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.392 -0.817 . . . . 0.0 109.07 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -43.92 79.64 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.739 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.63 -45.6 92.08 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 7.5 t-20 -54.03 -51.45 63.98 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' C ' HE21 ' A' ' 96' ' ' GLN . 1.5 mt-10 -58.56 -40.91 84.41 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.215 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' HA ' HE21 ' A' ' 97' ' ' GLN . 5.5 mt -57.6 -39.57 77.15 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 1.6 t-80 -72.35 -37.26 68.86 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.413 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 3.9 mmt180 -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.454 HE21 ' C ' ' A' ' 92' ' ' GLU . 16.5 mt-30 -85.07 -57.23 3.17 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.582 -0.698 . . . . 0.0 111.558 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -125.65 -110.0 0.31 Allowed 'General case' 0 C--O 1.198 -1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 111.285 -174.159 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.6 mm-40 30.02 -95.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.999 0.52 . . . . 0.0 111.661 -176.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.421 HH11 ' C ' ' A' ' 98' ' ' GLU . 36.1 mmt-85 -119.18 24.16 10.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.065 -1.022 . . . . 0.0 108.409 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -59.44 -48.81 95.05 Favored Pre-proline 0 C--N 1.287 -2.135 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 7.2 Cg_endo -48.08 42.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.636 0 C-N-CA 124.243 3.295 . . . . 0.0 115.286 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -80.32 76.21 7.13 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.51 63.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.934 0.873 . . . . 0.0 110.502 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 102' ' ' LEU . 17.9 mmtp -124.21 -46.84 1.91 Allowed 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.2 t80 62.51 -57.89 0.14 Allowed 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.707 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 114.53 145.08 8.76 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.185 -2.331 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.108 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 103.648 -3.781 . . . . 0.0 103.648 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.58 158.62 33.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.024 -1.28 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.424 ' SD ' ' N ' ' B' ' 4' ' ' ALA . 0.2 OUTLIER -117.98 128.82 55.16 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' B' ' 3' ' ' MET . . . -133.8 142.57 47.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.88 80.51 0.03 OUTLIER Glycine 0 C--N 1.284 -2.356 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.78 -54.62 44.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.344 -1.092 . . . . 0.0 109.39 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.01 -103.47 0.1 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 51.01 -142.98 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -1.136 . . . . 0.0 109.117 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.48 149.61 0.06 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.557 0.694 . . . . 0.0 110.454 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' B' ' 12' ' ' GLN . 5.5 p90 -119.01 121.12 39.17 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.18 109.64 12.47 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.568 -0.708 . . . . 0.0 109.174 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.432 ' HG2' ' CE2' ' B' ' 10' ' ' PHE . 1.5 mm-40 -69.47 166.64 18.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 176.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.443 ' C ' ' H ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -155.85 56.16 0.6 Allowed 'General case' 0 C--N 1.287 -2.109 0 O-C-N 121.286 -0.884 . . . . 0.0 108.915 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.33 49.39 0.11 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' B' ' 13' ' ' ARG . 29.2 m-85 -93.99 174.32 7.22 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.415 -0.803 . . . . 0.0 109.5 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.59 ' C ' ' H ' ' B' ' 18' ' ' THR . 5.9 t -169.19 90.66 0.22 Allowed 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.54 33.8 0.07 Allowed 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 122.331 1.062 . . . . 0.0 108.97 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.59 ' H ' ' C ' ' B' ' 16' ' ' SER . 2.1 p -91.5 81.07 5.38 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CZ ' ' O ' ' B' ' 16' ' ' SER . 29.0 m-85 -127.63 150.24 49.83 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.47 1.129 . . . . 0.0 111.91 -173.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.36 55.75 0.03 OUTLIER 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' B' ' 24' ' ' THR . 8.4 mmt180 -103.18 150.14 23.96 Favored 'General case' 0 C--N 1.286 -2.178 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.002 -171.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.465 ' C ' ' H ' ' B' ' 24' ' ' THR . 27.1 m-85 -141.53 -116.7 0.12 Allowed 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -54.15 -13.87 0.95 Allowed 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.4 mp0 -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.486 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.416 ' OE1' ' NH2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.402 ' HZ2' ' C ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.422 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.553 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.419 ' HA ' ' HE2' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.553 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.547 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 11.7 m-80 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.543 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' B' ' 64' ' ' GLY . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 69' ' ' ARG . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.526 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.526 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.447 HD11 ' NH1' ' A' ' 81' ' ' ARG . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.516 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.8 -51.04 29.31 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -48.01 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.409 -0.807 . . . . 0.0 109.03 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -42.07 75.09 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.928 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.18 -47.4 77.12 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.484 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 8.4 t-20 -51.73 -52.81 45.7 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.7 -40.74 80.2 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.193 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.439 ' HA ' HE21 ' B' ' 97' ' ' GLN . 2.1 mt -58.06 -40.03 79.97 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' B' ' 94' ' ' HIS . 2.6 t-80 -72.62 -36.03 67.95 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.622 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 13.9 mmt180 -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.38 -48.87 8.6 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.476 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' B' ' 100' ' ' ALA . 1.0 OUTLIER -132.05 -111.1 0.24 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.016 -1.053 . . . . 0.0 111.419 -175.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 97' ' ' GLN . 5.3 mm-40 28.7 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.706 -0.621 . . . . 0.0 112.452 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 97' ' ' GLN . 25.8 mmt-85 -121.17 23.43 10.54 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.035 -1.041 . . . . 0.0 108.988 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -56.37 -51.02 84.26 Favored Pre-proline 0 C--N 1.286 -2.188 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.213 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.2 Cg_endo -46.09 39.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.519 2.977 0 C-N-CA 124.594 3.529 . . . . 0.0 115.771 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.5 OUTLIER -81.18 79.76 7.77 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 176.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 53.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.056 -1.027 . . . . 0.0 110.425 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' B' ' 102' ' ' LEU . 16.4 mmtp -111.21 -49.05 3.04 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 61.3 t80 65.18 -58.6 0.27 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 115.47 139.97 6.95 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.187 -2.186 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.317 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 1 N-CA-C 102.946 -4.062 . . . . 0.0 102.946 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.97 -170.39 0.06 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmt -75.76 122.07 23.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.76 128.89 37.22 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.41 58.29 15.04 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.49 -157.65 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.23 135.4 3.96 Favored Glycine 0 C--N 1.278 -2.648 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -166.58 89.78 0.38 Allowed 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 160.85 13.79 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.301 -0.874 . . . . 0.0 109.31 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -76.93 149.64 36.0 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 157.97 33.29 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -91.92 146.31 23.85 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 14' ' ' ASP . 7.3 mmm-85 57.18 -161.45 0.21 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.558 0.694 . . . . 0.0 110.253 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -136.08 130.02 32.78 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -177.101 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -72.8 66.48 0.76 Allowed 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.6 m -94.74 90.57 6.13 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -54.71 72.16 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 121.787 0.803 . . . . 0.0 110.353 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -71.55 178.68 3.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.506 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.05 139.5 41.1 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.177 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 3.0 mp0 -80.41 53.92 1.92 Allowed 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -113.38 -170.97 1.79 Allowed 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -66.2 -170.31 0.09 Allowed 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.377 0.608 . . . . 0.0 110.191 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.3 t60 85.12 143.78 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 177.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.533 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' OD1' ' NH2' ' A' ' 13' ' ' ARG . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.533 ' SD ' ' HB3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' HH12 ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.494 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.04 65.07 8.92 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -32.35 -69.94 0.12 Allowed Glycine 0 N--CA 1.502 3.097 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.788 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . 132.19 69.87 0.09 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -52.32 -7.13 0.06 Allowed 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.972 -0.722 . . . . 0.0 112.126 -178.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -47.21 -26.83 1.27 Allowed 'General case' 0 N--CA 1.51 2.56 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 178.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.79 -42.34 50.37 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 tpp180 -59.3 -48.6 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.38 -59.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mtm105 -55.66 -39.86 71.47 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.515 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.5 -40.72 97.6 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.416 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.0 mt -67.42 -37.54 83.21 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.038 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.05 -52.42 62.86 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.06 -42.45 72.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -47.02 85.67 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 176.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.12 -50.23 71.68 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 81' ' ' ARG . 2.2 m-20 -60.44 -35.73 76.53 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.651 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -58.9 -52.05 67.4 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 177.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -59.5 -41.21 89.39 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 121.503 -0.748 . . . . 0.0 109.078 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.445 ' NH2' ' OD1' ' A' ' 78' ' ' ASP . 1.9 mtp180 -61.52 -36.04 79.4 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.681 -1.262 . . . . 0.0 107.772 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 -54.37 47.16 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -53.12 61.15 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.464 HD22 ' ND2' ' B' ' 84' ' ' ASN . 31.0 m-80 -50.89 -49.05 60.18 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.656 -0.652 . . . . 0.0 109.437 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -53.9 52.1 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.6 -49.95 69.22 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.518 0.675 . . . . 0.0 109.658 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 16.2 mt -65.29 -48.16 74.14 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 121.015 -1.053 . . . . 0.0 110.071 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -45.46 92.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.174 -0.954 . . . . 0.0 108.693 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.03 97.63 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.554 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.33 -47.68 83.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.964 -1.085 . . . . 0.0 109.35 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -56.32 -47.12 79.38 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.13 -44.51 83.39 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.553 -0.717 . . . . 0.0 109.245 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.98 -24.16 64.2 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 109.121 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' B' ' 94' ' ' HIS . 1.3 t60 -85.25 -46.49 10.98 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.5 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -66.59 -46.93 74.35 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -66.4 -26.8 67.42 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -89.09 83.93 6.56 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.033 -1.042 . . . . 0.0 108.709 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -71.39 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.417 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HE ' ' CD ' ' A' ' 98' ' ' GLU . 7.1 mmt85 -99.39 38.3 1.44 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.709 ' N ' ' CD ' ' A' ' 101' ' ' PRO . . . -134.28 -2.04 0.04 OUTLIER Pre-proline 0 C--O 1.194 -1.84 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -175.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 100' ' ' ALA . 65.7 Cg_exo -36.56 41.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.509 2.416 1 C-N-CA 125.329 4.02 . . . . 0.0 118.502 -175.188 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 100' ' ' ALA . 13.3 mt 53.04 -68.25 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.07 0.948 . . . . 0.0 111.881 175.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 101' ' ' PRO . 0.7 OUTLIER -74.01 171.43 13.5 Favored 'General case' 0 C--N 1.282 -2.358 0 O-C-N 121.377 -0.827 . . . . 0.0 109.523 -179.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER 30.73 52.84 0.14 Allowed 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 123.168 0.587 . . . . 0.0 111.312 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -60.58 160.52 8.94 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.239 -178.355 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.9 -175.51 28.12 Favored Glycine 0 C--N 1.282 -2.457 0 N-CA-C 107.543 -2.223 . . . . 0.0 107.543 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.182 -2.464 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.884 0 N-CA-C 103.844 -3.702 . . . . 0.0 103.844 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.57 176.93 0.76 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.806 -1.408 . . . . 0.0 107.454 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.536 ' SD ' ' N ' ' B' ' 3' ' ' MET . 2.8 mmt -59.53 120.05 8.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.88 136.31 40.13 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.475 -0.766 . . . . 0.0 109.143 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.21 55.17 25.63 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -85.6 -174.4 5.15 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.84 106.36 2.49 Favored Glycine 0 C--N 1.282 -2.437 0 N-CA-C 108.617 -1.793 . . . . 0.0 108.617 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.86 104.61 6.06 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 162.52 21.58 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.05 -1.031 . . . . 0.0 109.501 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -78.34 154.91 30.42 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.416 ' H ' ' CD1' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -80.81 154.59 27.08 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -87.42 145.69 26.18 Favored 'General case' 0 C--N 1.282 -2.333 0 O-C-N 121.397 -0.814 . . . . 0.0 109.899 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 29' ' ' ASN . 6.3 mmm-85 57.21 -156.35 0.31 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.619 -0.676 . . . . 0.0 110.243 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.502 ' CG ' HH21 ' B' ' 13' ' ' ARG . 0.5 OUTLIER -143.05 126.99 17.27 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.021 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.66 60.18 0.15 Allowed 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.521 ' O ' ' N ' ' B' ' 18' ' ' THR . 15.7 m -86.82 89.13 7.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.96 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.521 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.8 OUTLIER -85.04 172.41 11.31 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.11 142.92 3.39 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.219 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.474 ' HB3' ' SD ' ' B' ' 30' ' ' MET . 4.4 mp0 -82.5 49.88 1.54 Allowed 'General case' 0 C--N 1.258 -3.38 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.51 -171.36 1.82 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.726 -0.609 . . . . 0.0 109.402 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -169.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.816 -0.552 . . . . 0.0 110.579 -178.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' B' ' 25' ' ' GLU . 7.3 t60 81.54 144.14 0.08 Allowed 'General case' 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.512 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.475 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.526 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.51 ' OD1' ' NH2' ' B' ' 13' ' ' ARG . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.474 ' SD ' ' HB3' ' B' ' 20' ' ' GLU . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 27' ' ' LEU . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.411 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 49' ' ' MET . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' B' ' 56' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 55' ' ' ARG . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.511 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.535 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.401 HH21 ' CG ' ' B' ' 67' ' ' ASP . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.448 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.464 ' ND2' HD22 ' A' ' 84' ' ' ASN . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -59.76 -49.01 79.39 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.86 -48.73 75.55 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -40.64 88.85 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.864 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.98 -41.86 95.05 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 108.602 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -61.26 -46.25 91.13 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.424 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 6.1 mt-10 -54.78 -47.99 73.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.91 -29.09 64.82 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.464 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 94' ' ' HIS . 1.4 t60 -81.9 -44.06 17.31 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 118.657 -1.217 . . . . 0.0 108.719 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.24 -46.29 67.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-O 121.897 0.856 . . . . 0.0 109.54 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 34.4 mt-30 -64.88 -43.38 93.1 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.48 90.23 1.31 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.337 -0.852 . . . . 0.0 109.57 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.429 ' CD ' ' HE ' ' B' ' 99' ' ' ARG . 0.1 OUTLIER -77.88 -81.97 0.09 Allowed 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.315 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' B' ' 98' ' ' GLU . 8.0 mmt85 -100.17 34.91 2.2 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.079 -1.013 . . . . 0.0 108.537 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 101' ' ' PRO . . . -129.59 -2.44 0.04 OUTLIER Pre-proline 0 C--O 1.187 -2.215 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 100' ' ' ALA . 43.3 Cg_exo -35.98 37.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.513 2.623 0 C-N-CA 125.222 3.948 . . . . 0.0 119.275 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' B' ' 100' ' ' ALA . 24.1 mt 55.98 -63.38 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.974 -1.079 . . . . 0.0 112.039 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.568 ' N ' ' O ' ' B' ' 101' ' ' PRO . 9.9 m -80.34 171.74 14.67 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.331 -0.855 . . . . 0.0 108.728 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 103' ' ' SER . 0.0 OUTLIER 30.1 57.12 0.19 Allowed 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.414 ' CZ ' ' HA ' ' B' ' 100' ' ' ALA . 0.4 OUTLIER -69.1 145.7 53.17 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.58 167.21 16.12 Favored Glycine 0 C--N 1.277 -2.696 0 N-CA-C 106.453 -2.659 . . . . 0.0 106.453 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.193 -1.899 0 CA-C-N 118.806 1.303 . . . . 0.0 109.222 -178.25 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 1 N-CA-C 102.917 -4.073 . . . . 0.0 102.917 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . 61.68 -148.65 0.4 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.833 -0.804 . . . . 0.0 109.347 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm 62.29 -67.38 0.07 Allowed 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.583 -0.698 . . . . 0.0 109.225 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -75.11 -5.84 46.38 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.61 173.64 34.36 Favored Glycine 0 C--N 1.286 -2.226 0 N-CA-C 105.804 -2.918 . . . . 0.0 105.804 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -121.8 163.0 19.87 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 118.859 1.33 . . . . 0.0 108.815 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -67.27 -61.59 5.02 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m 59.96 -48.14 0.09 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 122.321 -0.517 . . . . 0.0 111.472 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 34.7 mt-10 -73.93 73.45 1.64 Allowed 'General case' 0 C--N 1.287 -2.139 0 O-C-N 120.964 -1.085 . . . . 0.0 109.569 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -87.95 153.38 21.35 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -149.25 113.27 5.16 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.37 -58.23 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' NH2' ' OG ' ' B' ' 31' ' ' SER . 9.2 mtm180 -99.02 140.74 32.72 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 171.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.31 172.14 7.5 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.232 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.504 ' C ' ' HG ' ' A' ' 16' ' ' SER . 6.7 m-85 -121.29 166.27 14.27 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 175.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 15' ' ' PHE . 1.2 m -164.07 128.17 2.68 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.468 -1.395 . . . . 0.0 109.63 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.59 52.98 2.0 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.59 98.97 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.202 -0.937 . . . . 0.0 109.579 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 6.4 p90 -71.85 -160.12 0.06 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.845 -1.159 . . . . 0.0 109.932 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 34.99 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 123.923 0.889 . . . . 0.0 112.341 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' NH1' ' O ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -76.32 -176.58 3.68 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.142 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -75.66 -148.72 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -16.21 8.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.529 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.5 mp0 -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' B' ' 13' ' ' ARG . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' HB3' ' B' ' 27' ' ' LEU . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.618 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' CD ' HH11 ' B' ' 57' ' ' ARG . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.6 m-80 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' LEU . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' ARG . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt -127.35 157.96 38.55 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -152.73 -106.12 0.29 Allowed Glycine 0 C--N 1.283 -2.368 0 N-CA-C 106.596 -2.602 . . . . 0.0 106.596 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 66' ' ' ASP . . . 164.95 -149.87 17.1 Favored Glycine 0 C--N 1.277 -2.727 0 N-CA-C 105.444 -3.062 . . . . 0.0 105.444 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER 78.68 -8.64 1.62 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 118.398 1.099 . . . . 0.0 113.603 175.053 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.45 -32.38 17.76 Favored 'General case' 0 N--CA 1.532 3.663 0 O-C-N 120.355 -1.466 . . . . 0.0 109.823 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.34 -27.95 61.79 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 HH21 ' CG ' ' A' ' 66' ' ' ASP . 4.1 tpp180 -68.26 -48.0 66.23 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' B' ' 66' ' ' ASP . 51.5 t -49.87 -53.94 9.05 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.51 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -56.51 -48.25 77.6 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.39 -41.07 84.06 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.89 -39.77 87.55 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.592 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.79 -49.53 77.34 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.64 -41.06 80.62 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.68 -42.78 95.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.37 -0.831 . . . . 0.0 108.838 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.58 -47.86 81.97 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 109.191 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.72 -42.1 78.61 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.32 -48.57 69.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -56.86 -42.87 80.53 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.6 -40.89 96.41 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.96 80.02 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -52.4 62.8 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 13.0 m-80 -47.99 -51.83 22.28 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -53.33 53.75 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.93 79.66 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 18.2 mt -75.78 -47.62 25.09 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.167 -0.958 . . . . 0.0 109.333 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -46.37 89.78 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -56.66 -39.98 74.7 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.601 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.428 ' CD ' HH21 ' B' ' 95' ' ' ARG . 21.1 mt-10 -70.16 -37.95 75.33 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 120.905 -1.122 . . . . 0.0 109.134 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -61.86 -46.62 88.64 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.8 mt-10 -49.11 -52.09 28.1 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.87 -25.13 26.74 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.11 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.47 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 0.8 OUTLIER -86.63 -52.3 5.63 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.7 175.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.507 HH21 ' CD ' ' B' ' 90' ' ' GLU . 30.1 mtt180 -69.39 -43.37 73.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.986 -0.446 . . . . 0.0 111.504 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.469 ' O ' ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -67.28 -39.02 85.99 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -177.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 18.0 mp0 -79.3 25.3 0.31 Allowed 'General case' 0 C--N 1.281 -2.394 0 O-C-N 121.539 -0.726 . . . . 0.0 110.287 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' CD ' HH22 ' A' ' 99' ' ' ARG . 5.4 mm-40 -96.4 -158.88 0.69 Allowed 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.439 HH22 ' CD ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.62 50.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.114 -0.991 . . . . 0.0 108.925 177.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.544 ' CB ' ' CD ' ' A' ' 101' ' ' PRO . . . -103.8 -70.34 0.03 OUTLIER Pre-proline 0 C--N 1.3 -1.563 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 100' ' ' ALA . 1.3 Cg_endo -46.12 118.02 2.2 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 C-N-CA 122.307 2.005 . . . . 0.0 110.318 175.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.17 -31.75 6.12 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.536 -0.728 . . . . 0.0 109.796 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -21.0 62.41 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 121.543 -0.723 . . . . 0.0 109.802 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -100.28 40.57 1.24 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.958 -1.089 . . . . 0.0 108.62 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -62.76 163.77 8.84 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.22 106.05 1.03 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.274 -1.931 . . . . 0.0 108.274 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 C--O 1.199 -1.604 0 O-C-N 122.027 -0.69 . . . . 0.0 110.038 -178.212 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 1 N-CA-C 102.594 -4.202 . . . . 0.0 102.594 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 55.61 -153.88 0.32 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.36 -1.082 . . . . 0.0 109.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 65.49 -69.15 0.11 Allowed 'General case' 0 N--CA 1.509 2.476 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -177.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -70.39 -7.09 40.34 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.95 172.44 38.1 Favored Glycine 0 C--N 1.292 -1.903 0 N-CA-C 106.333 -2.707 . . . . 0.0 106.333 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -119.2 159.79 23.37 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 118.477 1.139 . . . . 0.0 109.066 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -67.26 -57.21 9.65 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 107.466 -2.253 . . . . 0.0 107.466 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m 60.52 -49.55 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.972 -0.722 . . . . 0.0 111.643 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 7' ' ' GLY . 16.2 mt-10 -70.87 78.88 0.63 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.831 -1.168 . . . . 0.0 109.703 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -93.07 151.05 20.1 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -144.05 117.97 9.38 Favored 'General case' 0 C--N 1.29 -1.987 0 O-C-N 121.485 -0.759 . . . . 0.0 109.904 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.33 -48.53 27.66 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 31' ' ' SER . 3.5 mtm180 -110.33 146.81 35.1 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -72.5 159.15 34.4 Favored 'General case' 0 C--N 1.289 -2.044 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.742 -177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.34 135.8 53.46 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.78 129.68 24.78 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.631 -175.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.67 56.53 2.67 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.67 104.04 0.25 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.157 -0.965 . . . . 0.0 108.626 -177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.502 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 6.8 p90 -78.21 -160.72 0.22 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.611 -0.68 . . . . 0.0 110.066 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.421 ' N ' ' CD2' ' B' ' 19' ' ' TYR . 7.0 pt-20 34.87 38.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 123.805 0.842 . . . . 0.0 112.186 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.502 ' NH1' ' O ' ' B' ' 19' ' ' TYR . 0.2 OUTLIER -79.17 178.71 7.85 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.405 ' C ' ' N ' ' B' ' 24' ' ' THR . 2.0 m-85 -72.88 -154.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 174.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -18.8 1.43 Allowed 'General case' 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 173.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.542 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 36' ' ' ILE . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' B' ' 24' ' ' THR . 2.8 mp0 -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.591 ' OG ' ' NH2' ' A' ' 13' ' ' ARG . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 27' ' ' LEU . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' B' ' 49' ' ' MET . 2.5 m-80 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' B' ' 55' ' ' ARG . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.454 HH11 ' CD ' ' A' ' 52' ' ' GLU . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.408 ' N ' ' N ' ' A' ' 65' ' ' GLY . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 66' ' ' ASP . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . 0.418 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 18.3 mt -76.79 -47.19 22.35 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -46.3 88.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.27 -0.894 . . . . 0.0 108.623 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.418 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -55.08 -40.91 70.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.085 178.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.507 ' CD ' HH21 ' A' ' 95' ' ' ARG . 23.4 mt-10 -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.237 -0.915 . . . . 0.0 109.851 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.474 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 6.2 t-20 -60.48 -46.3 90.58 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' B' ' 96' ' ' GLN . 3.8 mt-10 -51.56 -50.43 60.1 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 31.8 mt -53.94 -24.85 17.85 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.002 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . 0.454 ' HD1' ' C ' ' B' ' 94' ' ' HIS . 0.5 OUTLIER -86.21 -54.45 4.45 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.085 175.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.474 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 46.1 mtt180 -67.85 -51.87 43.33 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.622 . . . . 0.0 111.372 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' B' ' 97' ' ' GLN . 0.3 OUTLIER -58.85 -32.92 69.86 Favored 'General case' 0 C--N 1.279 -2.462 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -176.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' B' ' 97' ' ' GLN . 16.3 mp0 -86.02 16.67 4.03 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 121.861 -0.524 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 100' ' ' ALA . 5.3 mm-40 -88.29 -158.18 0.46 Allowed 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 175.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 53.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.028 -1.045 . . . . 0.0 109.065 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.522 ' CB ' ' CD ' ' B' ' 101' ' ' PRO . . . -107.54 -69.58 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.768 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' B' ' 100' ' ' ALA . 1.7 Cg_endo -47.08 117.48 2.23 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 122.145 1.897 . . . . 0.0 110.163 174.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.99 -37.85 7.06 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.462 -0.774 . . . . 0.0 109.397 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -26.56 68.22 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.584 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -94.22 41.82 1.09 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.863 -1.148 . . . . 0.0 108.106 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -61.62 171.41 1.54 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 108.45 2.48 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.197 -1.693 0 O-C-N 121.941 -0.74 . . . . 0.0 109.646 -178.436 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 1 N-CA-C 102.904 -4.078 . . . . 0.0 102.904 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.25 -77.27 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -1.195 . . . . 0.0 108.215 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -153.59 159.7 42.22 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 148.78 39.28 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.28 94.56 0.54 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -143.07 -59.97 0.43 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.76 103.09 0.19 Allowed Glycine 0 C--N 1.28 -2.542 0 N-CA-C 106.431 -2.667 . . . . 0.0 106.431 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -68.71 0.15 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.295 -1.121 . . . . 0.0 109.857 -173.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -95.39 177.7 5.75 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -110.47 151.28 27.73 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.01 131.47 35.18 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.3 78.56 0.54 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.705 0.764 . . . . 0.0 110.108 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -160.1 0.68 Allowed 'General case' 0 C--N 1.264 -3.132 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 45.22 51.05 9.43 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 17' ' ' GLU . 1.1 m-85 -56.37 87.37 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.712 -0.617 . . . . 0.0 109.606 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.66 19.07 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 O-C-N 120.921 -1.112 . . . . 0.0 112.191 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 15' ' ' PHE . 2.5 mt-10 -70.79 89.46 0.76 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.91 70.3 0.14 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.3 -0.875 . . . . 0.0 109.385 -175.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' GLU . 31.6 m-85 -114.66 148.87 37.58 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.646 -0.658 . . . . 0.0 109.246 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -143.45 76.33 1.51 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 23' ' ' HIS . 1.6 mmp_? -120.64 146.3 46.53 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -68.12 44.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.796 0.808 . . . . 0.0 109.269 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.508 ' H ' ' C ' ' A' ' 21' ' ' ARG . 2.7 m-70 -114.73 177.97 4.45 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 24' ' ' THR . 3.4 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.446 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.593 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.613 HD22 ' ND2' ' B' ' 53' ' ' ASN . 2.2 m-80 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.506 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt -107.51 85.64 2.16 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -64.84 138.54 39.87 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.14 61.24 1.41 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 69' ' ' ARG . 35.1 m-20 -57.45 -9.19 0.99 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 122.14 -0.623 . . . . 0.0 110.924 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.19 -27.7 9.51 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.61 -39.68 62.01 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -57.47 -52.18 66.45 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 173.431 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG12 ' HG2' ' B' ' 69' ' ' ARG . 48.2 t -49.86 -49.66 20.27 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -60.66 -47.27 87.0 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.92 -177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.9 -41.79 96.74 Favored 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.254 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.73 -39.61 91.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.316 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.76 -49.62 77.02 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.1 -35.78 74.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.522 ' CD ' HH22 ' A' ' 79' ' ' ARG . 28.6 tp10 -67.95 -45.66 73.6 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.92 -35.67 81.41 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -61.85 -48.03 82.37 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.522 HH22 ' CD ' ' A' ' 76' ' ' GLU . 1.9 ttp85 -58.06 -55.81 30.07 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.29 -42.63 66.78 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 78' ' ' ASP . 9.8 mtp180 -64.67 -38.03 89.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.58 77.22 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -55.75 28.15 Favored 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 15.7 m-80 -45.42 -49.52 13.23 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.54 -53.12 61.71 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -53.53 -41.29 66.24 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.913 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD2' ' HG ' ' B' ' 88' ' ' LEU . 12.5 mt -76.82 -45.77 27.34 Favored 'General case' 0 C--N 1.282 -2.359 0 O-C-N 121.17 -0.956 . . . . 0.0 109.971 -175.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -41.85 89.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.214 -0.929 . . . . 0.0 108.517 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -58.75 -38.22 77.95 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.6 -41.36 69.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.922 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.16 -46.91 84.89 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.3 mt-10 -50.64 -47.18 58.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 173.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 1.9 mt -58.96 -57.69 11.94 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -54.14 -40.67 67.64 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 118.413 -1.315 . . . . 0.0 109.957 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -74.11 -42.07 60.63 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.446 -0.784 . . . . 0.0 109.396 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.98 -21.47 40.29 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.229 -0.919 . . . . 0.0 109.762 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' O ' ' C ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -76.97 -49.09 16.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.612 -176.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER 17.41 -88.54 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 121.337 0.589 . . . . 0.0 111.344 179.046 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' CA ' ' NE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -127.57 37.49 4.21 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.477 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -62.11 -58.5 17.26 Favored Pre-proline 0 C--N 1.297 -1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 108.92 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 6.1 Cg_exo -38.47 117.54 0.29 Allowed 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.096 2.531 . . . . 0.0 111.324 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.72 122.27 3.59 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.432 -0.793 . . . . 0.0 109.172 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -50.41 129.74 22.36 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.64 48.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.167 -0.958 . . . . 0.0 109.123 -178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 103' ' ' SER . 19.7 p90 179.72 169.31 1.16 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -59.03 4.45 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.187 -2.218 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 1 N-CA-C 102.919 -4.072 . . . . 0.0 102.919 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.62 -104.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -133.94 147.58 51.08 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.502 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.26 19.39 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.098 -1.001 . . . . 0.0 108.311 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.75 66.48 0.57 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.99 -61.02 1.68 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.36 101.42 0.18 Allowed Glycine 0 C--N 1.284 -2.35 0 N-CA-C 105.891 -2.883 . . . . 0.0 105.891 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -55.74 18.92 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.288 -1.125 . . . . 0.0 110.734 -173.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.77 160.97 16.81 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -97.8 147.29 24.54 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' B' ' 13' ' ' ARG . 10.9 mp -79.31 129.27 34.3 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.97 73.82 0.44 Allowed 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.607 0.717 . . . . 0.0 110.487 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -85.39 -167.34 1.8 Allowed 'General case' 0 C--N 1.266 -3.053 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' B' ' 16' ' ' SER . 27.7 t70 51.79 47.68 24.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.258 -0.902 . . . . 0.0 108.795 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -50.67 88.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -70.39 30.42 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.204 -0.935 . . . . 0.0 110.113 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -78.05 86.75 4.21 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.13 75.54 0.05 Allowed 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -176.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' B' ' 17' ' ' GLU . 47.9 m-85 -124.68 145.71 49.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.07 80.8 1.78 Allowed 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.2 OUTLIER -127.71 145.55 50.86 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -177.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.464 ' C ' ' HD1' ' B' ' 23' ' ' HIS . 20.1 p90 -68.35 55.07 0.08 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' HIS . . . . . 0.464 ' HD1' ' C ' ' B' ' 22' ' ' TYR . 3.3 m-70 -126.38 157.15 39.24 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 24' ' ' THR . 5.6 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.415 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' MET . . . . . 0.608 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.469 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.613 ' ND2' HD22 ' A' ' 53' ' ' ASN . 6.4 m-80 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.469 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.506 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.402 HG12 ' HG2' ' A' ' 69' ' ' ARG . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.413 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . 0.413 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.437 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 10.3 m-80 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 12.3 mt -76.6 -46.69 25.05 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.426 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -64.78 -42.35 95.15 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.21 -0.931 . . . . 0.0 108.572 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' B' ' 92' ' ' GLU . 0.5 OUTLIER -59.05 -38.32 79.11 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.288 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -40.79 78.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.913 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . 0.408 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -60.03 -46.8 88.33 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.425 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 33.2 mt-10 -50.95 -47.83 61.03 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 173.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.503 ' HA ' ' NE2' ' B' ' 97' ' ' GLN . 4.1 mt -57.13 -57.32 13.1 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.905 -1.118 . . . . 0.0 109.186 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -55.37 -40.38 71.24 Favored 'General case' 0 C--N 1.279 -2.483 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.024 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.7 mmt85 -75.53 -40.88 56.32 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.419 -0.801 . . . . 0.0 109.501 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.425 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 26.7 mt-30 -81.3 -23.43 37.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.586 -0.696 . . . . 0.0 110.07 -176.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -77.18 -45.73 25.67 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.081 -1.012 . . . . 0.0 109.666 -176.433 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER 15.03 -85.65 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 123.079 0.552 . . . . 0.0 111.432 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.424 ' CA ' ' NE ' ' B' ' 99' ' ' ARG . 0.0 OUTLIER -128.75 36.12 4.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.068 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.431 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -64.01 -58.45 14.48 Favored Pre-proline 0 C--N 1.298 -1.658 0 O-C-N 121.417 -0.802 . . . . 0.0 109.206 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -39.78 122.83 1.09 Allowed 'Trans proline' 0 N--CA 1.481 0.752 0 C-N-CA 122.31 2.006 . . . . 0.0 110.572 178.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.88 124.16 7.04 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.78 . . . . 0.0 109.134 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.492 ' C ' ' H ' ' B' ' 105' ' ' PHE . 0.3 OUTLIER -52.09 123.55 10.8 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -65.92 42.62 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.166 -0.959 . . . . 0.0 110.183 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' B' ' 103' ' ' SER . 17.1 p90 -171.01 176.6 3.98 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.14 -74.19 0.73 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.173 -2.961 0 O-C-N 121.352 -1.087 . . . . 0.0 108.445 177.362 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.502 2.16 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' MET . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 HG23 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 32' ' ' LYS . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.659 HD13 ' OE1' ' B' ' 28' ' ' GLN . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' B' ' 49' ' ' MET . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.539 ' HE2' HD11 ' B' ' 46' ' ' LEU . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' OD1' ' ND2' ' B' ' 53' ' ' ASN . 3.7 m-20 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HE ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt . . . . . 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' B' ' 27' ' ' LEU . 3.8 t60 . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.648 HD13 HG23 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.659 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.587 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 32' ' ' LYS . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.639 HD13 ' OE1' ' A' ' 28' ' ' GLN . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.548 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.548 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 49' ' ' MET . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.516 ' HE2' HD11 ' A' ' 46' ' ' LEU . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.473 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.9 m120 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 56' ' ' LEU . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' B' ' 55' ' ' ARG . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.424 ' HA ' HD12 ' B' ' 63' ' ' LEU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.516 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 75' ' ' LEU . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 72' ' ' GLU . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 80' ' ' LEU . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.725 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.803 HD13 ' OE1' ' B' ' 28' ' ' GLN . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 42' ' ' LEU . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.749 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.1 m120 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' B' ' 56' ' ' LEU . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 63' ' ' LEU . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 60' ' ' SER . 6.1 mt . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 29' ' ' ASN . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.517 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.803 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 34' ' ' GLU . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 32' ' ' LYS . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.725 HD13 ' OE1' ' A' ' 28' ' ' GLN . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 42' ' ' LEU . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.749 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.0 m120 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.442 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 56' ' ' LEU . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.442 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.703 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' B' ' 60' ' ' SER . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.457 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.701 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' B' ' 72' ' ' GLU . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' B' ' 80' ' ' LEU . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 HG23 ' B' ' 36' ' ' ILE . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.661 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.627 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.656 HD13 ' OE1' ' B' ' 28' ' ' GLN . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 HD13 ' B' ' 42' ' ' LEU . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.521 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.521 HH21 ' HB3' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.572 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.448 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 36' ' ' ILE . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.656 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.595 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.627 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' OE1' ' A' ' 28' ' ' GLN . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 42' ' ' LEU . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.489 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.554 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' B' ' 75' ' ' LEU . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.468 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' B' ' 80' ' ' LEU . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.468 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 HG23 ' B' ' 36' ' ' ILE . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.737 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' B' ' 30' ' ' MET . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 HD13 ' OE1' ' B' ' 28' ' ' GLN . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' MET . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' CG ' ' SD ' ' B' ' 49' ' ' MET . 3.7 m120 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt . . . . . 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.602 HG22 ' OE1' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 36' ' ' ILE . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.662 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.419 ' CD2' ' HE2' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.737 HD13 ' OE1' ' A' ' 28' ' ' GLN . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.426 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' B' ' 49' ' ' MET . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.439 ' HA ' HD12 ' B' ' 63' ' ' LEU . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.471 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.618 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 80' ' ' LEU . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.618 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 6.2 t-80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.706 0.765 . . . . 0.0 109.034 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 HD13 ' OE1' ' B' ' 28' ' ' GLN . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' B' ' 42' ' ' LEU . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 HD11 ' B' ' 42' ' ' LEU . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE2' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' B' ' 56' ' ' LEU . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' B' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' B' ' 25' ' ' GLU . 5.5 t-80 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.92 0.867 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.835 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 29' ' ' ASN . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 27' ' ' LEU . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.835 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 25' ' ' GLU . 11.2 m120 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.433 ' H ' ' HG ' ' B' ' 31' ' ' SER . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.746 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' NE2' ' B' ' 33' ' ' GLN . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 32' ' ' LYS . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 28' ' ' GLN . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' A' ' 42' ' ' LEU . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 42' ' ' LEU . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 56' ' ' LEU . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.503 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.492 ' O ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 56' ' ' LEU . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.931 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 69' ' ' ARG . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.482 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' B' ' 75' ' ' LEU . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.482 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.611 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.611 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 80' ' ' LEU . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HA ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' B' ' 28' ' ' GLN . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.408 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' B' ' 63' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.953 0.406 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.465 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 27' ' ' LEU . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.71 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 28' ' ' GLN . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' B' ' 44' ' ' LYS . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.565 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.565 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.646 ' O ' HG23 ' B' ' 70' ' ' VAL . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.556 ' NH2' HD21 ' B' ' 73' ' ' LEU . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 66' ' ' ASP . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.447 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.447 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.556 HD21 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 72' ' ' GLU . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.487 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' B' ' 81' ' ' ARG . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 N--CA 1.507 2.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.563 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' B' ' 39' ' ' TYR . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.777 ' HG3' HD13 ' B' ' 36' ' ' ILE . 1.1 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.432 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 32' ' ' LYS . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' B' ' 27' ' ' LEU . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 49' ' ' MET . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 63' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 N--CA 1.504 2.244 0 CA-C-O 120.755 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.544 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 39' ' ' TYR . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.795 ' HG3' HD13 ' A' ' 36' ' ' ILE . 1.1 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.777 HD13 ' HG3' ' A' ' 28' ' ' GLN . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 27' ' ' LEU . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' B' ' 57' ' ' ARG . 3.0 m120 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 63' ' ' LEU . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.592 ' HB2' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.455 ' OD1' ' NH1' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.51 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.528 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' NH1' ' OD1' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.51 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLN . . . . . 0.477 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 . . . . . 0 N--CA 1.505 2.277 0 CA-C-O 121.379 0.609 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.569 ' HB ' HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' B' ' 39' ' ' TYR . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.661 ' HG3' HD13 ' B' ' 36' ' ' ILE . 0.8 OUTLIER -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 34' ' ' GLU . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.752 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' SER . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' B' ' 28' ' ' GLN . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD11 HG23 ' B' ' 24' ' ' THR . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.463 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 49' ' ' MET . 4.2 m120 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 51' ' ' ASP . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 56' ' ' LEU . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt . . . . . 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 121.514 0.674 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.623 ' HB ' HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.525 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.635 ' HG3' HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.49 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' HG3' ' A' ' 28' ' ' GLN . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.523 ' CD2' HD22 ' A' ' 27' ' ' LEU . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' B' ' 46' ' ' LEU . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 49' ' ' MET . 3.0 m120 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 61' ' ' LYS . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 58' ' ' LEU . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.54 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.53 ' O ' HG23 ' B' ' 70' ' ' VAL . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 66' ' ' ASP . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.693 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.693 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 81' ' ' ARG . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 46.4 m-70 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.682 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' THR . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.492 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 ' HG3' ' B' ' 28' ' ' GLN . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.531 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.737 ' SD ' HD11 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 56' ' ' LEU . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.641 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 3.6 m120 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' B' ' 57' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' CZ ' HD21 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' B' ' 63' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.428 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 17.3 m-70 . . . . . 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.701 HG22 ' OE1' ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ASN . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' A' ' 36' ' ' ILE . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.701 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.9 OUTLIER -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.478 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' B' ' 34' ' ' GLU . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 28' ' ' GLN . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.728 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.702 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' B' ' 56' ' ' LEU . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' ' HD2' ' B' ' 57' ' ' ARG . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.702 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 57' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.564 ' HG3' HD21 ' A' ' 56' ' ' LEU . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 66' ' ' ASP . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 66' ' ' ASP . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.457 HD21 ' NH2' ' B' ' 69' ' ' ARG . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 72' ' ' GLU . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 0.7 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.715 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.715 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.1 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.577 HD13 ' HG3' ' B' ' 28' ' ' GLN . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD21 HG23 ' B' ' 24' ' ' THR . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.472 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' ND2' ' SD ' ' B' ' 49' ' ' MET . 5.8 m120 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.757 HG22 ' OE1' ' B' ' 28' ' ' GLN . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.757 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.2 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.504 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 28' ' ' GLN . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 49' ' ' MET . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.499 ' SD ' ' ND2' ' A' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.498 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' B' ' 49' ' ' MET . 5.3 m120 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.608 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.467 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' B' ' 75' ' ' LEU . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 80' ' ' LEU . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.414 0.626 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.737 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.737 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.4 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' B' ' 42' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' B' ' 49' ' ' MET . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 48' ' ' ARG . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' O ' HD21 ' B' ' 63' ' ' LEU . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.425 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.796 ' HA ' HD23 ' B' ' 63' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.458 0.647 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.72 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.72 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 48' ' ' ARG . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.456 ' O ' ' OD1' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.7 m120 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 56' ' ' LEU . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' B' ' 61' ' ' LYS . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.528 ' O ' HD21 ' A' ' 63' ' ' LEU . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' B' ' 58' ' ' LEU . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 67' ' ' ASP . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' B' ' 80' ' ' LEU . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.575 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.744 ' HD3' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.744 HD11 ' HD3' ' A' ' 32' ' ' LYS . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD11 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.757 ' SD ' HD11 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.428 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 49' ' ' MET . 2.9 m120 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.44 ' N ' ' OE2' ' B' ' 25' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.758 HG22 ' OE1' ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 29' ' ' ASN . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 HG23 ' B' ' 24' ' ' THR . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' B' ' 25' ' ' GLU . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.742 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.57 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.601 HD11 ' HD3' ' B' ' 32' ' ' LYS . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 48' ' ' ARG . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.801 ' SD ' HD11 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.401 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 49' ' ' MET . 2.8 m120 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG2' HD11 ' A' ' 56' ' ' LEU . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.483 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.514 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 66' ' ' ASP . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' B' ' 75' ' ' LEU . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 85' ' ' LEU . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 HG21 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' THR . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.76 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.553 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.746 HD13 ' OE1' ' B' ' 28' ' ' GLN . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.465 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.438 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 49' ' ' MET . 4.2 m120 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' B' ' 57' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' B' ' 56' ' ' LEU . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' HE3' ' A' ' 61' ' ' LYS . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.679 ' HA ' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.465 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.427 HD13 HG23 ' A' ' 36' ' ' ILE . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.746 ' OE1' HD13 ' A' ' 36' ' ' ILE . 1.7 mm100 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.76 HD13 ' OE1' ' A' ' 28' ' ' GLN . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' CYS . . . . . 0.457 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' B' ' 49' ' ' MET . 4.4 m120 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 57' ' ' ARG . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' A' ' 56' ' ' LEU . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 66' ' ' ASP . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.455 HD21 ' NH1' ' B' ' 69' ' ' ARG . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 72' ' ' GLU . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' B' ' 80' ' ' LEU . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 . . . . . 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.566 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' HG23 ' B' ' 36' ' ' ILE . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' OE1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.719 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 32' ' ' LYS . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.605 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.679 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' MET . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.605 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.622 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' B' ' 66' ' ' ASP . 10.6 mt . . . . . 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' HB3' HG23 ' A' ' 36' ' ' ILE . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.546 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' B' ' 32' ' ' LYS . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.62 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.622 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.635 HD21 ' NH2' ' B' ' 57' ' ' ARG . 3.5 m120 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.62 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.679 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.61 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.452 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' B' ' 75' ' ' LEU . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LEU . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.6 HD13 ' OE1' ' B' ' 28' ' ' GLN . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' B' ' 42' ' ' LEU . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.723 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.1 m120 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' B' ' 57' ' ' ARG . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.763 ' CB ' HD13 ' B' ' 63' ' ' LEU . 12.7 mt . . . . . 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.431 HG22 ' OE1' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.482 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.6 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.513 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.739 ' HA ' HD12 ' B' ' 35' ' ' LEU . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' B' ' 32' ' ' LYS . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.615 HD13 ' OE1' ' A' ' 28' ' ' GLN . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 42' ' ' LEU . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.723 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.559 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.3 m120 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.517 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 63' ' ' LEU . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.763 HD13 ' CB ' ' A' ' 63' ' ' LEU . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.468 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.583 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.583 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' B' ' 80' ' ' LEU . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLN . . . . . 0.52 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 . . . . . 0 N--CA 1.518 2.944 0 CA-C-O 120.483 0.183 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.754 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD13 ' OE1' ' B' ' 28' ' ' GLN . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' MET . 4.1 m120 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.05 HD21 ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.98 ' HE ' HD21 ' B' ' 56' ' ' LEU . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 . . . . . 0 N--CA 1.517 2.914 0 CA-C-O 120.513 0.197 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.484 ' HA ' HD12 ' B' ' 27' ' ' LEU . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.461 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' B' ' 24' ' ' THR . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.577 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 25' ' ' GLU . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.458 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.568 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 32' ' ' LYS . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.754 HD13 ' OE1' ' A' ' 28' ' ' GLN . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.98 HD21 ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 1.05 ' HE ' HD21 ' A' ' 56' ' ' LEU . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.468 ' CG ' ' HE ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.486 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' B' ' 80' ' ' LEU . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.811 ' HB ' HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.811 HE22 ' HB ' ' A' ' 24' ' ' THR . 0.9 OUTLIER -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.517 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.676 HD13 ' HG3' ' B' ' 28' ' ' GLN . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD12 ' HE2' ' A' ' 37' ' ' LYS . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 46' ' ' LEU . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.431 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' HB2' ' B' ' 52' ' ' GLU . 4.3 m120 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.573 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' B' ' 56' ' ' LEU . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' ASN . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt . . . . . 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.68 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' HB3' HG12 ' A' ' 36' ' ' ILE . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.68 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.476 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.547 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' B' ' 35' ' ' LEU . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.633 ' HE2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.633 HD12 ' HE2' ' B' ' 37' ' ' LYS . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 46' ' ' LEU . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.494 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.481 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.431 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 3.4 m120 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 55' ' ' ARG . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 56' ' ' LEU . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 53' ' ' ASN . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.626 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' O ' HG23 ' B' ' 70' ' ' VAL . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 66' ' ' ASP . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.598 ' HA ' HD12 ' B' ' 75' ' ' LEU . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' B' ' 72' ' ' GLU . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.543 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 80' ' ' LEU . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLU . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.505 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 32' ' ' LYS . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' B' ' 27' ' ' LEU . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.56 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' B' ' 63' ' ' LEU . 3.0 mt . . . . . 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 . . . . . 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.578 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.578 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 25' ' ' GLU . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.473 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' B' ' 32' ' ' LYS . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 27' ' ' LEU . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 46' ' ' LEU . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.56 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' B' ' 58' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 56' ' ' LEU . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.529 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.446 ' O ' HD12 ' B' ' 63' ' ' LEU . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 63' ' ' LEU . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.666 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.666 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' B' ' 80' ' ' LEU . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' B' ' 39' ' ' TYR . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 24' ' ' THR . 0.8 OUTLIER -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' GLU . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.459 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 32' ' ' LYS . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD21 HG23 ' B' ' 24' ' ' THR . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.729 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.9 m120 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HE ' ' HB3' ' A' ' 55' ' ' ARG . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt . . . . . 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.726 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 39' ' ' TYR . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.726 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.9 OUTLIER -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' B' ' 25' ' ' GLU . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.483 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' B' ' 34' ' ' GLU . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' B' ' 31' ' ' SER . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 32' ' ' LYS . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 28' ' ' GLN . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.495 HD21 HG23 ' A' ' 24' ' ' THR . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.467 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.729 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 46' ' ' LEU . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.9 m120 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 80' ' ' LEU . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLN . . . . . 0.427 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 18.3 mt . . . . . 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.671 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' B' ' 36' ' ' ILE . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.671 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.1 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.51 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' O ' ' OH ' ' B' ' 39' ' ' TYR . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.622 HD13 ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.478 ' HE2' HD11 ' B' ' 46' ' ' LEU . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.469 ' OD1' ' ND2' ' B' ' 53' ' ' ASN . 3.5 m120 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.542 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 56' ' ' LEU . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt . . . . . 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.492 -1.274 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.65 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' HG12 ' A' ' 36' ' ' ILE . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.65 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.5 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.461 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 32' ' ' LYS . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.595 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 49' ' ' MET . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' MET . . . . . 0.469 ' O ' ' OD1' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.509 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.469 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 4.6 m120 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.509 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 62' ' ' ARG . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.522 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 66' ' ' ASP . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' B' ' 75' ' ' LEU . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.41 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ARG . . . . . 0.41 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 80' ' ' LEU . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.595 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.418 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 1 N-CA-C 102.273 -4.331 . . . . 0.0 102.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.26 144.72 19.45 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.302 -1.116 . . . . 0.0 109.473 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -54.79 97.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.08 -68.49 0.09 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 3' ' ' MET . . . 43.34 55.65 5.04 Favored Glycine 0 N--CA 1.508 3.468 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -46.55 137.83 6.4 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.76 -0.847 . . . . 0.0 109.958 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 67.39 3.67 Favored Glycine 0 C--N 1.283 -2.361 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.7 37.94 0.85 Allowed 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.284 -1.127 . . . . 0.0 109.226 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.92 51.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.139 -0.976 . . . . 0.0 110.47 -177.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -72.57 137.48 46.23 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.633 -1.292 . . . . 0.0 108.412 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.15 166.71 4.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 12' ' ' GLN . 1.3 mp0 -59.91 113.32 2.23 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 121.718 -0.614 . . . . 0.0 109.706 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.16 63.04 1.27 Allowed 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' SER . 28.3 t70 -70.83 -7.86 48.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.349 -0.844 . . . . 0.0 109.37 -176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -59.37 88.11 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 33' ' ' GLN . 4.3 m -102.0 -0.42 33.71 Favored 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.7 mm-40 -62.26 75.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.837 . . . . 0.0 110.063 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -69.91 60.78 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' GLU . 43.5 m-85 -130.14 147.47 51.87 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -126.29 71.12 1.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.761 -0.587 . . . . 0.0 110.607 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' N ' ' OG1' ' A' ' 24' ' ' THR . 2.7 mpt_? -76.7 134.29 39.27 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 170.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 23.6 m-85 -32.98 -41.78 0.07 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -93.51 -5.43 49.1 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.076 -1.015 . . . . 0.0 111.916 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' MET . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 HG23 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.639 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 32' ' ' LYS . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.659 HD13 ' OE1' ' B' ' 28' ' ' GLN . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.516 HD11 ' HE2' ' B' ' 49' ' ' MET . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.539 ' HE2' HD11 ' B' ' 46' ' ' LEU . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' OD1' ' ND2' ' B' ' 53' ' ' ASN . 3.7 m-20 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HE ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt -114.32 162.8 16.14 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.607 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -144.03 -109.96 0.7 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.72 86.24 0.08 OUTLIER Glycine 0 N--CA 1.497 2.704 0 N-CA-C 106.107 -2.797 . . . . 0.0 106.107 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -148.9 -5.23 0.41 Allowed 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.809 -0.818 . . . . 0.0 109.152 -174.063 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p30 -48.55 -30.4 5.24 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 121.473 -0.767 . . . . 0.0 111.482 -177.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -41.11 58.97 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -47.7 85.21 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 173.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' B' ' 73' ' ' LEU . 68.9 t -49.02 -54.56 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 13.5 ttm105 -57.38 -47.71 80.95 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.448 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 75' ' ' LEU . 12.0 mt-10 -58.62 -38.99 79.2 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.249 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.622 HD11 HG13 ' B' ' 70' ' ' VAL . 59.2 mt -69.07 -39.9 78.81 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' B' ' 73' ' ' LEU . 1.0 OUTLIER -63.53 -43.96 95.6 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 177.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 72' ' ' GLU . 19.2 mt -62.38 -43.23 99.32 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -47.65 84.97 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD23 HD12 ' B' ' 80' ' ' LEU . 27.8 mt -59.01 -51.75 68.71 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -29.45 58.4 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.005 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.597 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -73.69 -51.2 17.42 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD12 HD23 ' B' ' 77' ' ' LEU . 11.9 mt -59.03 -38.95 80.51 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.073 -1.017 . . . . 0.0 108.54 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -61.74 -34.28 75.55 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -56.77 -52.0 66.72 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 79' ' ' ARG . 1.5 mp0 -64.78 -48.0 76.08 Favored 'General case' 0 C--O 1.196 -1.735 0 O-C-N 121.257 -0.902 . . . . 0.0 109.111 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -49.07 -49.17 42.87 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.78 -57.0 14.7 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -50.69 -49.02 58.36 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.639 0.733 . . . . 0.0 110.168 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.9 mt -74.62 -49.82 20.17 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.19 -0.944 . . . . 0.0 110.34 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -60.54 -47.6 85.47 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.964 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.99 -48.3 66.17 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.605 -0.685 . . . . 0.0 109.588 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.4 t-20 -53.53 -51.18 63.69 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 96' ' ' GLN . 12.7 mt-10 -55.37 -44.11 75.76 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.674 173.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD23 ' NE2' ' A' ' 97' ' ' GLN . 11.5 mt -59.87 -27.93 67.11 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.015 0.825 . . . . 0.0 109.746 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 101' ' ' PRO . 46.9 t60 -85.94 -34.47 20.88 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 30.9 mtm105 -85.44 -58.96 2.46 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.501 ' HB2' ' OE1' ' A' ' 97' ' ' GLN . 84.7 mt-30 -48.24 -71.64 0.06 Allowed 'General case' 0 N--CA 1.505 2.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.607 -172.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.694 ' H ' ' CD ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -69.61 100.03 1.39 Allowed 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.665 0.745 . . . . 0.0 109.346 -174.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.31 156.3 34.77 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.612 HH12 ' C ' ' B' ' 107' ' ' ASP . 14.2 mmm180 45.34 29.08 0.52 Allowed 'General case' 0 N--CA 1.508 2.436 0 CA-C-O 121.012 0.434 . . . . 0.0 110.362 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.657 ' H ' ' CD ' ' A' ' 101' ' ' PRO . . . -126.12 -25.66 0.04 OUTLIER Pre-proline 0 C--N 1.286 -2.176 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.657 ' CD ' ' H ' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -27.19 125.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.315 2.677 . . . . 0.0 113.631 -174.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.6 mt -24.37 117.83 0.05 OUTLIER 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 59.38 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.59 0.709 . . . . 0.0 110.076 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' LEU . 29.7 mmtp -63.0 167.96 4.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' NH1' ' B' ' 99' ' ' ARG . 2.1 m-85 -71.21 56.06 0.21 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . -74.91 -48.23 12.21 Favored Glycine 0 C--N 1.29 -2.015 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' C ' HH12 ' B' ' 99' ' ' ARG . 2.8 p-10 . . . . . 0 C--O 1.196 -1.722 0 O-C-N 121.989 -0.712 . . . . 0.0 109.604 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 1 N-CA-C 102.603 -4.199 . . . . 0.0 102.603 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.44 156.65 18.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -1.213 . . . . 0.0 108.968 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -66.33 80.95 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . 70.44 -68.67 0.2 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -176.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.33 -49.33 0.13 Allowed Glycine 0 N--CA 1.507 3.392 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 4' ' ' ALA . 30.8 t70 61.61 139.55 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 C-N-CA 124.267 1.027 . . . . 0.0 111.096 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.9 73.08 2.01 Favored Glycine 0 C--N 1.284 -2.31 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.31 35.18 1.65 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -74.2 54.12 0.53 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.224 -0.923 . . . . 0.0 109.362 -178.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -78.8 140.04 38.29 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.968 -1.082 . . . . 0.0 108.265 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.629 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -63.79 163.9 10.93 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.447 0.641 . . . . 0.0 109.932 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' B' ' 12' ' ' GLN . 1.7 mp0 -58.7 112.39 1.6 Allowed 'General case' 0 C--N 1.282 -2.362 0 O-C-N 121.569 -0.707 . . . . 0.0 109.267 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.42 ' HE ' ' C ' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -75.72 67.42 2.16 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.82 17.55 1.15 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.246 -0.908 . . . . 0.0 110.319 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -76.55 76.13 3.26 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.242 -0.911 . . . . 0.0 108.612 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.461 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -82.54 0.1 44.22 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.644 -0.66 . . . . 0.0 110.964 -178.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 14.6 mm-40 -66.01 71.3 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.319 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.2 OUTLIER -68.85 55.77 0.09 Allowed 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' B' ' 17' ' ' GLU . 35.7 m-85 -127.8 147.32 50.42 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -123.74 72.71 1.16 Allowed 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 120.997 0.427 . . . . 0.0 110.718 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' B' ' 24' ' ' THR . 3.0 mpt_? -77.78 134.52 38.02 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 103.383 -2.821 . . . . 0.0 103.383 169.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 21' ' ' ARG . 13.8 m-85 -34.74 -38.0 0.07 Allowed 'General case' 0 N--CA 1.509 2.498 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' B' ' 27' ' ' LEU . 3.8 t60 -96.08 -5.65 40.4 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.843 -1.161 . . . . 0.0 111.39 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD13 HG23 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.659 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.587 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 16' ' ' SER . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 32' ' ' LYS . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.639 HD13 ' OE1' ' A' ' 28' ' ' GLN . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' CZ ' ' A' ' 21' ' ' ARG . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.548 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.548 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 49' ' ' MET . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.516 ' HE2' HD11 ' A' ' 46' ' ' LEU . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.473 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.9 m120 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 56' ' ' LEU . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' B' ' 55' ' ' ARG . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.424 ' HA ' HD12 ' B' ' 63' ' ' LEU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.516 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.496 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 74' ' ' GLU . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.622 HG13 HD11 ' A' ' 73' ' ' LEU . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 75' ' ' LEU . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.606 ' CD1' HG13 ' A' ' 70' ' ' VAL . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 72' ' ' GLU . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 80' ' ' LEU . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 77' ' ' LEU . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' B' ' 89' ' ' THR . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.438 ' O ' HG22 ' B' ' 89' ' ' THR . 31.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.6 mt -76.28 -49.34 17.27 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.46 -45.36 94.59 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.6 OUTLIER -55.95 -42.88 76.86 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.928 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -69.77 -44.62 69.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.539 -0.725 . . . . 0.0 109.509 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.19 -50.67 70.55 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.97 -46.06 75.01 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.65 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.519 HD23 ' NE2' ' B' ' 97' ' ' GLN . 11.2 mt -58.06 -26.04 62.01 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.959 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.557 ' CD2' ' HB3' ' B' ' 101' ' ' PRO . 17.1 t-80 -86.01 -36.97 19.43 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -85.41 -49.22 8.29 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.476 ' HB2' ' OE1' ' B' ' 97' ' ' GLN . 86.1 mt-30 -58.41 -64.04 1.06 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.54 -0.725 . . . . 0.0 110.413 -171.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.67 ' H ' ' CD ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -79.63 96.33 6.15 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-O 122.007 0.908 . . . . 0.0 109.313 -175.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 154.45 37.68 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 121.736 -0.602 . . . . 0.0 109.583 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.543 HH12 ' C ' ' A' ' 107' ' ' ASP . 14.0 mmm180 46.42 33.04 1.76 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.732 ' H ' ' HD2' ' B' ' 101' ' ' PRO . . . -131.54 -28.69 0.03 OUTLIER Pre-proline 0 C--N 1.294 -1.837 0 CA-C-O 118.306 -0.854 . . . . 0.0 113.08 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -27.8 130.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.894 2.396 . . . . 0.0 113.649 -175.002 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' B' ' 104' ' ' LYS . 15.7 mt -29.26 116.22 0.11 Allowed 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.53 60.15 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.753 0.787 . . . . 0.0 109.697 -177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' B' ' 102' ' ' LEU . 29.8 mmtp -63.09 166.68 5.66 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.555 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 1.3 m-85 -68.89 53.38 0.09 Allowed 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -75.84 -43.88 21.4 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.612 ' C ' HH12 ' A' ' 99' ' ' ARG . 2.3 p-10 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.68 19.71 0.27 Allowed 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.793 -1.416 . . . . 0.0 111.432 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mtt -81.07 59.08 3.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.11 22.96 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.355 -0.84 . . . . 0.0 109.622 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.22 82.78 0.07 OUTLIER Glycine 0 C--N 1.28 -2.531 0 N-CA-C 108.043 -2.023 . . . . 0.0 108.043 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.3 167.43 21.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.52 -0.988 . . . . 0.0 108.695 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.74 128.5 6.3 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.85 132.88 38.19 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -58.4 151.91 18.92 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -77.53 131.74 38.03 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.114 -0.991 . . . . 0.0 108.561 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.24 97.36 0.02 OUTLIER 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.704 -0.623 . . . . 0.0 110.72 -177.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.8 141.73 53.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.921 -1.112 . . . . 0.0 108.343 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.98 68.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.453 -0.779 . . . . 0.0 109.377 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -107.2 67.53 0.7 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -113.19 86.09 2.31 Favored 'General case' 0 C--N 1.29 -1.994 0 O-C-N 121.04 -1.038 . . . . 0.0 110.696 -174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' THR . 5.3 m -107.89 -2.85 19.46 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 1.9 mm-40 -66.79 57.23 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -175.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -150.93 41.2 0.75 Allowed 'General case' 0 C--N 1.284 -2.242 0 O-C-N 121.131 -0.981 . . . . 0.0 110.511 -176.004 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.687 ' HB3' HE21 ' A' ' 28' ' ' GLN . 52.0 m-85 -126.63 140.89 52.07 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 175.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 20.3 mt-10 -145.88 80.18 1.57 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.764 -0.585 . . . . 0.0 110.413 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HB2' ' HB ' ' A' ' 24' ' ' THR . 74.4 mmt-85 -145.05 126.0 14.47 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.614 ' O ' ' N ' ' A' ' 24' ' ' THR . 49.8 p90 -52.82 162.4 0.61 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 62.21 -62.72 0.1 Allowed 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.614 ' N ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.725 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.803 HD13 ' OE1' ' B' ' 28' ' ' GLN . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 42' ' ' LEU . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.749 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.1 m120 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' B' ' 56' ' ' LEU . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 63' ' ' LEU . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 60' ' ' SER . 6.1 mt -91.7 170.24 10.07 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.77 -143.24 5.02 Favored Glycine 0 C--N 1.271 -3.071 0 N-CA-C 108.472 -1.851 . . . . 0.0 108.472 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.18 61.61 0.03 OUTLIER Glycine 0 C--N 1.272 -3.005 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB3' HG21 ' B' ' 70' ' ' VAL . 4.6 m-20 -117.46 -6.61 11.2 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.761 -0.846 . . . . 0.0 110.41 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -30.3 1.28 Allowed 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.45 59.44 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 69' ' ' ARG . 7.8 tpt180 -61.01 -43.28 99.12 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 174.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' B' ' 73' ' ' LEU . 98.7 t -51.63 -56.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -56.33 -40.67 74.81 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.942 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.737 ' HA ' HD12 ' A' ' 75' ' ' LEU . 39.1 mt-10 -59.22 -44.02 92.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.594 HD11 HG13 ' B' ' 70' ' ' VAL . 74.2 mt -67.14 -38.82 86.17 Favored 'General case' 0 C--N 1.285 -2.229 0 C-N-CA 119.623 -0.831 . . . . 0.0 108.912 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.85 -42.56 98.05 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.415 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 72' ' ' GLU . 11.4 mt -62.47 -42.61 99.6 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 80' ' ' LEU . 33.7 mt -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -59.96 -41.64 92.34 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 tpm_? -60.81 -58.63 7.64 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.559 HD12 HD23 ' B' ' 77' ' ' LEU . 10.4 mt -55.28 -43.95 75.22 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.563 ' HG3' HD11 ' B' ' 80' ' ' LEU . 53.4 mtp180 -60.3 -35.83 76.49 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -60.47 -51.3 70.07 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -49.1 78.7 Favored 'General case' 0 C--O 1.19 -2.048 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.606 ' ND2' HD22 ' B' ' 80' ' ' LEU . 8.2 m-80 -52.81 -49.37 65.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.75 -53.64 55.87 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -53.84 52.32 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.48 -0.763 . . . . 0.0 109.668 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 15.4 mt -62.48 -50.46 71.35 Favored 'General case' 0 C--N 1.282 -2.348 0 O-C-N 121.759 -0.588 . . . . 0.0 110.11 -176.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -47.77 73.12 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.257 -0.902 . . . . 0.0 109.108 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -47.3 81.44 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.787 -1.196 . . . . 0.0 108.702 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.23 -40.49 97.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.339 -0.85 . . . . 0.0 109.131 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.499 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 12.1 t-20 -57.79 -50.07 74.49 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -32.9 74.65 Favored 'General case' 0 C--N 1.28 -2.452 0 O-C-N 121.604 -0.685 . . . . 0.0 109.699 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 14.5 mt -64.04 -55.25 23.55 Favored 'General case' 0 CA--C 1.477 -1.844 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' B' ' 94' ' ' HIS . 73.6 t60 -56.75 -45.56 81.96 Favored 'General case' 0 C--N 1.281 -2.395 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.887 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -60.48 -62.68 1.69 Allowed 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.603 0.716 . . . . 0.0 109.393 -179.453 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 76.7 mt-30 -54.25 -32.79 56.96 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 121.589 0.709 . . . . 0.0 109.135 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 14.4 mp0 -95.84 12.83 28.76 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.395 -0.815 . . . . 0.0 109.653 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 106' ' ' GLY . 1.0 OUTLIER -131.01 -52.3 1.04 Allowed 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.484 ' NH1' ' OE1' ' A' ' 98' ' ' GLU . 16.7 mmm180 -72.06 55.33 0.3 Allowed 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.661 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -175.47 -65.9 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 120.997 -1.064 . . . . 0.0 110.379 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.661 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.2 Cg_exo -36.03 117.17 0.15 Allowed 'Trans proline' 0 N--CA 1.484 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 113.043 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt 4.1 -58.1 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.544 0 C-N-CA 125.758 1.623 . . . . 0.0 114.194 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 101' ' ' PRO . 1.5 m -154.7 22.6 0.46 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.081 -1.012 . . . . 0.0 109.568 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -78.94 2.58 19.75 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.758 -1.214 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 140.62 21.5 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.539 ' H ' ' CD ' ' A' ' 98' ' ' GLU . . . -52.02 -37.97 46.36 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.188 -2.161 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.498 0 N-CA-C 105.985 -2.846 . . . . 0.0 105.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 53.74 8.92 0.16 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.754 -1.439 . . . . 0.0 111.438 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mtt -72.18 64.51 0.55 Allowed 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.849 -1.157 . . . . 0.0 107.912 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -76.82 -52.77 8.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.518 -0.739 . . . . 0.0 109.415 -175.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.77 73.52 0.07 OUTLIER Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -178.99 1.23 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.943 -0.74 . . . . 0.0 109.242 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.2 128.65 3.93 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.94 132.92 39.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.62 150.73 22.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.209 -0.932 . . . . 0.0 109.911 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -72.52 143.51 48.33 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 108.787 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.538 ' N ' HD12 ' B' ' 11' ' ' LEU . 0.1 OUTLIER -66.53 91.74 0.19 Allowed 'General case' 0 C--N 1.276 -2.6 0 CA-C-O 121.248 0.547 . . . . 0.0 110.539 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 137.67 57.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.97 83.38 0.65 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -123.61 60.54 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -106.75 75.73 1.07 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.104 -0.997 . . . . 0.0 110.604 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.505 ' O ' ' N ' ' B' ' 18' ' ' THR . 2.1 m -92.09 -4.46 54.32 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 172.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' B' ' 17' ' ' GLU . 1.2 mm-40 -65.41 58.28 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.505 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -150.27 36.08 0.66 Allowed 'General case' 0 C--N 1.291 -1.958 0 O-C-N 120.973 -1.079 . . . . 0.0 110.285 -177.164 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.742 ' HB3' HE21 ' B' ' 28' ' ' GLN . 66.3 m-85 -122.03 137.68 54.72 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.111 -0.993 . . . . 0.0 108.553 176.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.529 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 12.7 mt-10 -146.53 84.72 1.63 Allowed 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 83.4 mmt-85 -148.53 129.67 14.54 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.612 ' O ' ' N ' ' B' ' 24' ' ' THR . 46.8 p90 -56.76 162.53 2.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.294 -0.879 . . . . 0.0 108.903 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 61.57 -64.84 0.07 Allowed 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.612 ' N ' ' O ' ' B' ' 22' ' ' TYR . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 29' ' ' ASN . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.517 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.803 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 34' ' ' GLU . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 32' ' ' LYS . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.725 HD13 ' OE1' ' A' ' 28' ' ' GLN . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 42' ' ' LEU . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.749 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.0 m120 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.442 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 56' ' ' LEU . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.442 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.703 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' B' ' 60' ' ' SER . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.457 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.594 HG13 HD11 ' A' ' 73' ' ' LEU . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.701 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.546 ' CD1' HG13 ' A' ' 70' ' ' VAL . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' B' ' 72' ' ' GLU . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.559 HD23 HD12 ' A' ' 80' ' ' LEU . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 77' ' ' LEU . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' A' ' 80' ' ' LEU . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.421 ' OD1' HD22 ' A' ' 80' ' ' LEU . 5.3 m120 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.427 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 16.1 mt -61.57 -51.81 67.02 Favored 'General case' 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -50.31 68.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -54.63 -47.76 73.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.467 -1.396 . . . . 0.0 108.811 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.11 -40.0 94.4 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.177 -0.952 . . . . 0.0 109.503 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.594 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 13.6 t-20 -61.53 -48.47 80.89 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' NH1' ' B' ' 95' ' ' ARG . 0.5 OUTLIER -63.84 -35.37 80.41 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 13.4 mt -64.42 -56.32 15.08 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 74.7 t60 -55.59 -43.89 76.44 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 117.936 -1.506 . . . . 0.0 109.211 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -61.17 -62.45 1.84 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.167 -0.958 . . . . 0.0 108.963 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' B' ' 95' ' ' ARG . 73.8 mt-30 -55.63 -34.26 64.75 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.474 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 11.6 mp0 -93.65 11.51 28.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.552 -0.718 . . . . 0.0 109.771 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' B' ' 106' ' ' GLY . 0.9 OUTLIER -128.9 -52.11 1.22 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 17.1 mmm180 -72.44 53.11 0.29 Allowed 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.651 -0.656 . . . . 0.0 110.107 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.646 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -173.26 -63.99 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.177 -0.952 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.646 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 3.6 Cg_exo -37.13 86.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 124.004 3.136 . . . . 0.0 115.575 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 77.0 mt 40.27 -60.8 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.562 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.63 ' N ' ' O ' ' B' ' 101' ' ' PRO . 1.4 m -159.05 17.4 0.18 Allowed 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.699 -1.251 . . . . 0.0 108.992 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.474 ' NZ ' ' O ' ' B' ' 97' ' ' GLN . 6.6 ttpt -78.29 6.28 8.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.821 -1.174 . . . . 0.0 109.263 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -57.5 140.23 51.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.517 ' H ' ' CD ' ' B' ' 98' ' ' GLU . . . -52.71 -29.12 32.31 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.178 -2.66 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 176.901 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 1 N-CA-C 102.3 -4.32 . . . . 0.0 102.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.57 -167.91 1.35 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mmt -139.82 147.09 40.24 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.1 132.34 47.65 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.28 128.98 19.75 Favored Glycine 0 C--N 1.284 -2.343 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.79 -174.15 2.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.254 -1.145 . . . . 0.0 108.038 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.15 141.33 3.19 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 m -166.39 159.33 14.59 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.5 138.16 57.78 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -51.99 118.95 3.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -77.12 -178.86 5.24 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -176.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 31.5 mt-30 -120.94 -155.32 0.63 Allowed 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.79 103.08 12.91 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 15' ' ' PHE . 3.7 t0 -77.88 -178.75 5.62 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' SER . 16.2 m-85 31.89 47.24 0.07 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -27.1 -64.42 0.08 Allowed 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.397 0.618 . . . . 0.0 110.037 -175.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.0 mm-40 -123.44 163.62 20.5 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 65.28 0.21 Allowed 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.8 m-85 -150.32 152.11 33.96 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -136.01 63.65 1.59 Allowed 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' HIS . 14.1 mmm180 -97.48 21.84 9.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 1.1 p90 34.39 30.33 0.01 OUTLIER 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 123.919 0.888 . . . . 0.0 112.898 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ARG . 47.3 m80 -122.45 -89.47 0.6 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 HG23 ' B' ' 36' ' ' ILE . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.661 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.627 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.656 HD13 ' OE1' ' B' ' 28' ' ' GLN . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 HD13 ' B' ' 42' ' ' LEU . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.521 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.521 HH21 ' HB3' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt -117.89 138.31 52.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -116.6 -110.27 2.63 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 106.7 -2.56 . . . . 0.0 106.7 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.34 60.48 0.02 OUTLIER Glycine 0 N--CA 1.507 3.414 0 N-CA-C 107.105 -2.398 . . . . 0.0 107.105 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.3 OUTLIER -121.61 -1.15 9.58 Favored 'General case' 0 C--N 1.271 -2.831 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -171.342 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -32.52 5.17 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.808 -0.557 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.04 -38.41 64.02 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.603 HH21 ' CD ' ' A' ' 72' ' ' GLU . 1.6 tpm_? -61.77 -47.23 86.08 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.62 HG13 HD11 ' B' ' 73' ' ' LEU . 94.2 t -50.57 -55.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -54.54 -44.16 72.6 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.713 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' A' ' 75' ' ' LEU . 39.5 mt-10 -57.66 -40.99 80.6 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 51.2 mt -72.86 -34.47 66.77 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.41 -46.11 90.07 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.1 mt -61.17 -41.61 97.09 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.98 -45.52 85.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD23 HD12 ' B' ' 80' ' ' LEU . 14.0 mt -56.38 -56.99 14.31 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.3 -0.875 . . . . 0.0 108.794 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.514 ' CG ' HH21 ' A' ' 81' ' ' ARG . 0.8 OUTLIER -55.11 -28.26 51.31 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.124 177.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -44.6 91.05 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 80' ' ' LEU . 24.5 mt -70.99 -36.73 72.6 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH21 ' CG ' ' A' ' 78' ' ' ASP . 17.6 mtm105 -63.31 -37.9 89.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.55 79.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -48.75 70.57 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -50.02 -51.69 39.98 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.24 -54.77 39.29 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -54.23 -54.04 45.4 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.608 0.718 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.3 mt -62.61 -48.75 78.04 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.423 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -63.87 -48.55 76.24 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 121.17 -0.957 . . . . 0.0 108.919 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -41.72 77.08 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 118.718 -1.193 . . . . 0.0 109.06 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -67.66 -47.55 69.2 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.143 -0.973 . . . . 0.0 109.314 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -54.64 -49.34 70.76 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' GLN . 25.2 mt-10 -56.19 -44.76 79.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.694 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.444 ' HA ' HE22 ' A' ' 97' ' ' GLN . 0.6 OUTLIER -52.91 -46.03 67.86 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.131 178.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -67.36 -44.53 78.8 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.905 178.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -35.1 72.82 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLU . 91.8 mt-30 -81.35 -49.37 10.77 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 121.452 -0.78 . . . . 0.0 109.298 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.444 HE22 ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.9 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 118.743 -1.183 . . . . 0.0 111.652 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 38.47 -104.63 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.192 -0.942 . . . . 0.0 110.937 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' NH1' ' OXT' ' B' ' 107' ' ' ASP . 1.3 mmt180 -96.79 25.14 5.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.678 -1.264 . . . . 0.0 110.211 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -89.13 -51.58 0.37 Allowed Pre-proline 0 C--N 1.277 -2.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.065 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 12.6 Cg_endo -52.74 48.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 123.761 2.974 . . . . 0.0 113.516 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 100' ' ' ALA . 18.3 mt -150.93 176.82 10.74 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.471 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -67.5 98.91 0.7 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 77.5 0.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 103' ' ' SER . 33.9 m-85 -63.35 -23.54 67.46 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 51.39 43.41 51.84 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.083 -2.007 . . . . 0.0 108.083 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.188 -2.16 0 O-C-N 121.483 -1.01 . . . . 0.0 108.69 -177.916 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 1 N-CA-C 102.735 -4.146 . . . . 0.0 102.735 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 -171.1 1.76 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.11 136.74 38.57 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.48 139.07 50.47 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.5 130.74 10.54 Favored Glycine 0 C--N 1.29 -2.005 0 N-CA-C 107.859 -2.097 . . . . 0.0 107.859 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.02 -167.06 0.79 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.926 . . . . 0.0 108.855 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 142.59 3.43 Favored Glycine 0 C--N 1.288 -2.085 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.06 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -166.79 164.74 16.52 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 147.06 51.94 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -59.97 119.5 7.87 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD12 ' O ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -75.5 175.21 8.71 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.511 -0.743 . . . . 0.0 109.082 -178.02 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -116.18 -160.09 0.74 Allowed 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -97.83 108.62 21.37 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 121.152 -0.968 . . . . 0.0 108.66 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' B' ' 15' ' ' PHE . 1.8 t0 -85.43 -175.84 5.85 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' B' ' 14' ' ' ASP . 26.9 m-85 33.13 44.97 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.513 ' HB3' ' HG3' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -24.55 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.815 0.846 . . . . 0.0 110.736 -175.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 19' ' ' TYR . 2.8 mm-40 -123.07 165.51 16.69 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 173.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.11 54.92 0.3 Allowed 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' B' ' 17' ' ' GLU . 8.9 m-85 -140.07 159.7 41.6 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -142.69 62.49 1.41 Allowed 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 13.9 mmm180 -94.74 21.67 7.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.411 ' CG ' ' C ' ' B' ' 21' ' ' ARG . 1.6 p90 35.34 34.74 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.278 1.031 . . . . 0.0 112.281 175.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 21' ' ' ARG . 32.2 m80 -127.78 -89.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.572 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.448 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 36' ' ' ILE . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.656 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.577 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.627 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' OE1' ' A' ' 28' ' ' GLN . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 42' ' ' LEU . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.489 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.506 ' CA ' ' H ' ' A' ' 64' ' ' GLY . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.554 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 73' ' ' LEU . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' B' ' 75' ' ' LEU . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.62 HD11 HG13 ' A' ' 70' ' ' VAL . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 73' ' ' LEU . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.468 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' B' ' 80' ' ' LEU . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.468 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 16.0 mt -72.17 -48.13 45.61 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -65.58 -49.93 66.98 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.318 -0.864 . . . . 0.0 109.578 -179.264 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -43.12 72.4 Favored 'General case' 0 C--N 1.289 -2.035 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.587 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' B' ' 93' ' ' LEU . 44.2 mt-10 -69.74 -41.64 74.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -58.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.24 -44.24 75.33 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 90' ' ' GLU . 0.9 OUTLIER -51.23 -47.91 62.24 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.342 -1.343 . . . . 0.0 108.318 178.15 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.3 OUTLIER -67.38 -43.23 81.91 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.992 178.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -45.97 69.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.87 -51.53 25.78 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 121.952 -0.467 . . . . 0.0 110.532 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -150.3 -93.3 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.023 -178.495 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 97' ' ' GLN . 3.4 mm-40 38.46 -120.54 0.25 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.226 -0.921 . . . . 0.0 110.116 -177.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -81.81 24.92 0.58 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 119.834 -1.791 . . . . 0.0 111.205 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -86.12 -53.25 0.44 Allowed Pre-proline 0 C--N 1.282 -2.363 0 O-C-N 121.515 -0.741 . . . . 0.0 110.939 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.55 ' HD2' ' H ' ' B' ' 100' ' ' ALA . 11.9 Cg_endo -51.05 44.25 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.654 0 C-N-CA 124.292 3.328 . . . . 0.0 114.637 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' B' ' 100' ' ' ALA . 21.7 mt -145.29 -178.74 6.22 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.485 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.5 OUTLIER -68.87 97.38 0.83 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.012 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 68.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.258 -0.901 . . . . 0.0 108.738 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 103' ' ' SER . 38.4 m-85 -53.25 -36.16 60.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.81 47.23 92.27 Favored Glycine 0 C--N 1.293 -1.821 0 N-CA-C 107.637 -2.185 . . . . 0.0 107.637 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.458 ' OXT' ' NH1' ' A' ' 99' ' ' ARG . 18.3 t70 . . . . . 0 C--O 1.187 -2.228 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 1 N-CA-C 101.905 -4.478 . . . . 0.0 101.905 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.04 37.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.239 . . . . 0.0 108.997 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.5 mmm -95.49 155.86 16.56 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.49 -150.05 0.16 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.34 75.39 1.27 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.42 -136.32 0.2 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.418 -1.048 . . . . 0.0 108.805 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.43 154.93 27.53 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 -44.96 0.07 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.384 -1.068 . . . . 0.0 108.411 -177.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.639 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.4 mp0 -47.78 113.12 0.66 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.435 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -88.49 151.64 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -130.91 155.52 46.62 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' CD ' ' HZ1' ' B' ' 32' ' ' LYS . 14.6 mt-30 -93.39 144.63 25.15 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.6 mtm-85 -86.97 33.2 0.66 Allowed 'General case' 0 C--N 1.289 -2.025 0 O-C-N 121.159 -0.963 . . . . 0.0 108.977 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.8 p30 -114.28 -18.15 11.66 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 20.5 m-85 -52.99 84.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -78.93 49.97 0.97 Allowed 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.309 -0.869 . . . . 0.0 109.432 -177.227 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.21 56.48 0.1 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.436 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -148.41 23.31 1.03 Allowed 'General case' 0 C--N 1.284 -2.241 0 O-C-N 120.711 -1.243 . . . . 0.0 109.016 177.367 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' ARG . 13.5 m-85 -120.47 -177.63 3.5 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.79 58.55 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.033 0.92 . . . . 0.0 108.796 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER 47.17 34.71 3.13 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.426 1.108 . . . . 0.0 108.81 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.2 m-30 -33.26 121.45 0.39 Allowed 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.274 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.34 -24.85 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.498 HG22 ' OE1' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 HG23 ' B' ' 36' ' ' ILE . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.737 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HZ1' ' CD ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 HD13 ' OE1' ' B' ' 28' ' ' GLN . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' MET . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' CG ' ' SD ' ' B' ' 49' ' ' MET . 3.7 m120 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt -117.73 173.31 6.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -155.65 -118.02 0.6 Allowed Glycine 0 C--N 1.276 -2.79 0 N-CA-C 106.358 -2.697 . . . . 0.0 106.358 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.19 77.41 0.02 OUTLIER Glycine 1 N--CA 1.519 4.179 0 C-N-CA 117.489 -2.291 . . . . 0.0 112.382 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.628 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -166.06 4.75 0.03 OUTLIER 'General case' 0 C--N 1.27 -2.851 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.503 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' H ' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -47.4 -37.58 11.64 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.876 1.27 . . . . 0.0 110.5 -177.134 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.78 -31.26 64.74 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -62.2 -42.85 99.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' B' ' 66' ' ' ASP . 86.6 t -49.09 -51.22 13.55 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.694 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 74' ' ' GLU . 6.3 tpp180 -55.97 -44.99 79.04 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.899 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 75' ' ' LEU . 35.6 mt-10 -58.29 -43.6 88.11 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.65 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -68.15 -35.13 77.59 Favored 'General case' 0 C--O 1.193 -1.885 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.037 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 71' ' ' ARG . 46.7 mt-10 -60.58 -49.01 79.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.7 mt -61.3 -38.47 86.92 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.93 -49.46 70.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' CD1' HD22 ' B' ' 73' ' ' LEU . 19.4 mt -55.59 -58.12 9.12 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 81' ' ' ARG . 1.2 m-20 -56.94 -34.24 67.81 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.597 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.9 tmm_? -61.52 -47.78 84.04 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD12 HD23 ' B' ' 77' ' ' LEU . 12.7 mt -62.41 -40.53 96.84 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 78' ' ' ASP . 18.9 mtm105 -62.18 -34.62 76.78 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -60.9 -53.94 51.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CD ' HH11 ' A' ' 79' ' ' ARG . 0.2 OUTLIER -61.22 -48.23 82.46 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.508 ' ND2' HD22 ' B' ' 80' ' ' LEU . 10.8 m-80 -50.96 -49.46 60.02 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' A' ' 89' ' ' THR . 3.1 tp -57.29 -55.43 34.86 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -51.94 -50.85 60.37 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.607 -0.683 . . . . 0.0 109.791 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.7 mt -68.29 -53.33 25.14 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 121.417 -0.802 . . . . 0.0 110.321 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -58.26 -43.66 88.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 0.0 108.68 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -61.82 -45.19 94.89 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.335 -0.853 . . . . 0.0 108.996 -178.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.0 mt-10 -66.1 -39.14 89.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.888 -1.132 . . . . 0.0 109.273 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.48 -49.17 78.33 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.47 -44.52 84.9 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.286 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 60.7 mt -54.09 -25.13 20.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.013 -1.054 . . . . 0.0 108.999 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' GLU . 38.6 t60 -85.29 -62.86 1.43 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.45 -1.3 . . . . 0.0 107.877 171.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.11 -44.16 64.31 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.377 0.608 . . . . 0.0 112.216 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -31.63 62.13 Favored 'General case' 0 C--N 1.284 -2.247 0 O-C-N 121.418 -0.801 . . . . 0.0 109.269 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 12.4 mp0 -86.65 -53.86 4.71 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 94' ' ' HIS . 2.4 mm-40 34.19 -103.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 122.063 -0.398 . . . . 0.0 110.702 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' NH1' ' OE1' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -73.99 54.84 0.54 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.001 -1.062 . . . . 0.0 108.519 178.476 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -106.41 -64.29 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.946 0 O-C-N 121.445 -0.785 . . . . 0.0 109.327 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.2 Cg_exo -35.32 128.24 0.28 Allowed 'Trans proline' 0 N--CA 1.482 0.841 0 C-N-CA 122.878 2.385 . . . . 0.0 112.24 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mt -69.47 22.64 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.196 -0.94 . . . . 0.0 109.532 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 101' ' ' PRO . 1.1 m -166.58 -171.2 1.81 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.4 mttp 65.05 -64.52 0.17 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.436 -0.79 . . . . 0.0 110.749 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -70.17 -6.02 31.31 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.335 -0.853 . . . . 0.0 110.935 -176.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.81 -21.33 50.91 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.142 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 1 N-CA-C 102.433 -4.267 . . . . 0.0 102.433 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 142.23 54.22 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.927 -1.337 . . . . 0.0 108.936 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.04 149.2 21.65 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.393 -0.817 . . . . 0.0 108.85 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.07 -168.76 2.07 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.63 79.29 1.03 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -98.05 -153.32 0.42 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.44 141.69 10.44 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.226 -1.949 . . . . 0.0 108.226 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -47.84 0.14 Allowed 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.383 -1.069 . . . . 0.0 108.462 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 1.9 mp0 -51.14 108.02 0.22 Allowed 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.406 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' B' ' 10' ' ' PHE . 1.4 p90 -80.21 156.73 26.77 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.75 159.56 40.21 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.506 ' CD ' ' HZ1' ' A' ' 32' ' ' LYS . 17.4 mt-30 -99.17 147.61 24.94 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -86.67 32.26 0.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.187 -0.946 . . . . 0.0 109.168 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' SER . 12.3 p30 -117.2 -12.38 10.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.691 -0.631 . . . . 0.0 109.323 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.432 ' CE1' ' NE2' ' B' ' 12' ' ' GLN . 17.4 m-85 -57.66 79.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 14' ' ' ASP . 4.4 m -79.85 55.02 1.97 Allowed 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 122.166 0.984 . . . . 0.0 109.254 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.32 46.64 0.27 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.407 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -140.1 35.85 1.92 Allowed 'General case' 0 C--N 1.285 -2.226 0 O-C-N 120.984 -1.073 . . . . 0.0 108.268 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' B' ' 21' ' ' ARG . 16.4 m-85 -128.63 -175.59 3.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.45 55.24 0.06 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.357 -0.84 . . . . 0.0 109.133 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER 51.96 34.72 14.29 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.548 1.165 . . . . 0.0 108.349 -178.201 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -35.59 118.76 0.5 Allowed 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.567 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -52.03 -21.48 3.19 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.602 HG22 ' OE1' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 36' ' ' ILE . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.662 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.518 ' HZ1' ' CD ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.419 ' CD2' ' HE2' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.737 HD13 ' OE1' ' A' ' 28' ' ' GLN . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.426 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' B' ' 49' ' ' MET . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.439 ' HA ' HD12 ' B' ' 63' ' ' LEU . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.605 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.471 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.65 HG13 HD11 ' A' ' 73' ' ' LEU . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 77' ' ' LEU . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 73' ' ' LEU . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.618 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.508 HD22 ' ND2' ' A' ' 84' ' ' ASN . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.618 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.494 HD12 ' HB ' ' B' ' 89' ' ' THR . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -75.71 -53.16 8.97 Favored 'General case' 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -45.41 94.75 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.254 -0.904 . . . . 0.0 109.093 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.494 ' HB ' HD12 ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.74 -46.1 77.89 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.006 -1.059 . . . . 0.0 108.562 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' B' ' 93' ' ' LEU . 7.8 mt-10 -68.46 -38.88 81.47 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.483 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -59.21 -50.25 74.75 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.64 -44.2 81.06 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.78 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 40.6 mt -53.89 -25.55 20.59 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.381 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' B' ' 98' ' ' GLU . 30.5 t60 -85.17 -62.21 1.59 Allowed 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.209 171.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -52.81 -41.32 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.829 -0.544 . . . . 0.0 111.804 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -28.91 50.02 Favored 'General case' 0 C--N 1.281 -2.387 0 O-C-N 121.179 -0.95 . . . . 0.0 108.982 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 12.7 mp0 -90.27 -53.87 4.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 94' ' ' HIS . 2.6 mm-40 34.79 -100.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.028 0.531 . . . . 0.0 110.512 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.47 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -76.72 55.72 1.09 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.005 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.641 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -105.17 -62.69 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.244 -0.91 . . . . 0.0 109.668 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.641 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 6.3 Cg_exo -37.31 135.86 0.39 Allowed 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 123.233 2.622 . . . . 0.0 111.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.27 22.31 0.09 Allowed 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.161 -0.962 . . . . 0.0 108.997 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.503 ' H ' ' C ' ' B' ' 101' ' ' PRO . 21.6 m -168.42 -165.55 0.6 Allowed 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mttp 64.87 -58.49 0.25 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.293 -0.879 . . . . 0.0 110.792 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -76.81 -7.07 54.75 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.176 -0.952 . . . . 0.0 110.816 -178.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.07 -37.68 37.19 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 N--CA 1.51 2.54 0 O-C-N 121.49 -1.006 . . . . 0.0 109.145 -178.792 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.682 1 N-CA-C 102.646 -4.182 . . . . 0.0 102.646 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB1' ' SD ' ' B' ' 3' ' ' MET . . . -53.91 146.98 13.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.407 -1.055 . . . . 0.0 108.663 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.564 ' SD ' ' HB1' ' B' ' 2' ' ' ALA . 47.7 mtp -72.15 69.71 0.78 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -49.69 131.72 21.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.776 -0.577 . . . . 0.0 109.59 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -72.01 69.46 1.04 Allowed Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.8 61.91 0.26 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.393 -1.063 . . . . 0.0 109.191 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' GLY . . . -84.06 149.57 25.41 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -162.95 132.9 4.39 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.087 -1.243 . . . . 0.0 108.036 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.86 123.99 23.27 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.198 -0.939 . . . . 0.0 108.649 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -76.2 143.5 41.03 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.2 pp -56.14 164.73 1.18 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-O 122.247 1.023 . . . . 0.0 111.284 -175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.5 -124.98 0.24 Allowed 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' ASN . 16.1 ttm105 54.79 105.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -95.64 -165.1 1.24 Allowed 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.69 58.64 5.05 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -70.98 63.44 0.31 Allowed 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.582 -175.343 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . 37.2 mt-10 -69.14 65.5 0.15 Allowed 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.765 HG23 ' HB3' ' A' ' 23' ' ' HIS . 17.4 m -40.81 95.38 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.744 0.783 . . . . 0.0 110.025 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' ARG . 60.3 t80 -71.63 -166.78 0.22 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 19' ' ' TYR . 33.4 mt-10 -65.54 53.06 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.536 ' NH1' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mmp_? -137.51 149.43 46.78 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.985 -1.072 . . . . 0.0 109.474 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.48 58.44 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.463 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' HB3' HG23 ' A' ' 18' ' ' THR . 6.2 t-80 -69.33 59.94 0.12 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.15 -0.969 . . . . 0.0 109.034 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' CD ' ' HE ' ' A' ' 13' ' ' ARG . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 HD13 ' OE1' ' B' ' 28' ' ' GLN . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' B' ' 42' ' ' LEU . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 HD11 ' B' ' 42' ' ' LEU . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE2' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' B' ' 56' ' ' LEU . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 64' ' ' GLY . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -56.73 85.64 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -132.46 -172.78 13.12 Favored Glycine 0 C--N 1.274 -2.885 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -176.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . 131.01 159.82 9.71 Favored Glycine 0 C--N 1.262 -3.58 0 N-CA-C 104.142 -3.583 . . . . 0.0 104.142 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.8 m-20 63.03 -19.54 0.05 Allowed 'General case' 0 N--CA 1.527 3.423 0 CA-C-N 118.589 1.195 . . . . 0.0 110.548 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -48.95 -32.28 8.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.996 -1.065 . . . . 0.0 109.126 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.94 61.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ASP . 5.3 tpp180 -55.13 -43.29 74.0 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' B' ' 66' ' ' ASP . 46.3 t -54.37 -55.38 15.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.604 HH21 ' CD ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -57.52 -41.69 81.34 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 122.089 -0.382 . . . . 0.0 110.039 -178.323 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.5 mt-10 -61.04 -40.39 93.45 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.109 -0.994 . . . . 0.0 108.501 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' B' ' 70' ' ' VAL . 72.6 mt -68.56 -37.68 80.11 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.908 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' CD ' HH21 ' A' ' 71' ' ' ARG . 39.8 mt-10 -58.11 -46.85 84.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 72' ' ' GLU . 12.1 mt -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CD ' HH21 ' A' ' 79' ' ' ARG . 10.2 tp10 -67.74 -41.14 83.89 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD23 HD12 ' B' ' 80' ' ' LEU . 20.6 mt -61.27 -41.64 97.28 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.39 -41.01 79.42 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.463 HH21 ' CD ' ' A' ' 76' ' ' GLU . 3.8 ttp180 -59.37 -55.7 31.41 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.491 HD12 HD23 ' B' ' 77' ' ' LEU . 21.0 mt -62.47 -39.89 94.89 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -59.83 -40.32 88.07 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -61.37 -42.65 99.06 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.44 -56.63 10.04 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 45.7 m-20 -50.41 -46.69 56.48 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.995 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.31 -55.25 37.26 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -56.93 -43.96 81.98 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.315 0.578 . . . . 0.0 109.537 -179.032 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 9.9 mt -72.54 -50.11 27.98 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.18 -0.95 . . . . 0.0 110.301 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -57.84 -49.25 77.32 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -46.93 87.31 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 118.681 -1.208 . . . . 0.0 109.462 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mt-10 -65.76 -38.94 90.45 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.892 -1.13 . . . . 0.0 109.563 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 59.4 t30 -62.75 -48.39 79.4 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -54.13 -47.43 71.88 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 90' ' ' GLU . 4.4 mt -55.8 -53.31 58.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.187 -0.946 . . . . 0.0 109.423 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 25.0 t60 -62.57 -44.21 96.88 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.37 -178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -67.96 -46.12 72.31 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.442 -0.786 . . . . 0.0 109.317 -178.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -76.81 -65.3 0.96 Allowed 'General case' 0 C--N 1.284 -2.273 0 CA-C-O 121.639 0.733 . . . . 0.0 109.628 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.85 100.8 2.7 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CD ' HH21 ' A' ' 99' ' ' ARG . 0.0 OUTLIER -86.73 -166.61 1.61 Allowed 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 173.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -72.27 47.79 0.17 Allowed 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.217 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -84.01 -61.63 0.29 Allowed Pre-proline 0 C--O 1.197 -1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.875 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.581 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -42.8 37.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 0 C-N-CA 125.256 3.971 . . . . 0.0 116.423 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.652 ' N ' ' O ' ' A' ' 100' ' ' ALA . 59.7 mt -135.64 8.69 3.34 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 48.13 48.65 18.28 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.55 0.69 . . . . 0.0 110.39 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' A' ' 99' ' ' ARG . 5.3 mtmm -75.64 147.23 39.68 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.131 -0.981 . . . . 0.0 108.731 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -142.39 157.73 44.47 Favored 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.325 -0.859 . . . . 0.0 108.994 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.43 81.64 0.03 OUTLIER Glycine 0 C--N 1.284 -2.324 0 N-CA-C 106.215 -2.754 . . . . 0.0 106.215 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.055 1 N-CA-C 102.398 -4.281 . . . . 0.0 102.398 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 3' ' ' MET . . . -55.82 147.12 19.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -1.037 . . . . 0.0 108.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.51 ' SD ' ' HB1' ' A' ' 2' ' ' ALA . 46.8 mtp -71.89 61.41 0.41 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . -37.83 132.44 0.93 Allowed 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 121.016 0.436 . . . . 0.0 111.028 -175.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 7' ' ' GLY . . . -70.25 58.56 0.84 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 4' ' ' ALA . 9.4 t70 -67.28 73.89 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 5' ' ' GLY . . . -94.7 158.16 22.58 Favored Glycine 0 C--N 1.287 -2.153 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.9 136.46 3.58 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 121.026 -1.279 . . . . 0.0 108.285 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.4 117.2 22.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.15 -0.969 . . . . 0.0 108.699 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -65.99 145.49 55.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.566 HD12 ' O ' ' B' ' 11' ' ' LEU . 2.0 pp -55.48 166.61 0.61 Allowed 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 122.107 0.956 . . . . 0.0 110.874 -176.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.58 -134.79 0.25 Allowed 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 29' ' ' ASN . 21.6 ttm105 61.76 111.8 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.499 0.666 . . . . 0.0 112.256 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' B' ' 16' ' ' SER . 11.6 t0 -104.45 -172.82 2.17 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -75.6 55.64 0.85 Allowed 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.539 ' O ' ' N ' ' B' ' 18' ' ' THR . 0.8 OUTLIER -67.16 56.95 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.097 -176.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' B' ' 19' ' ' TYR . 40.9 mt-10 -67.0 64.9 0.06 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.725 HG23 ' HB3' ' B' ' 23' ' ' HIS . 25.5 m -40.6 93.36 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.359 0.599 . . . . 0.0 110.669 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.588 ' O ' ' N ' ' B' ' 21' ' ' ARG . 61.9 t80 -68.95 -168.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' B' ' 19' ' ' TYR . 30.5 mt-10 -63.49 55.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' B' ' 19' ' ' TYR . 2.4 mmp_? -138.91 153.15 48.23 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.353 -0.842 . . . . 0.0 109.331 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' B' ' 24' ' ' THR . 0.1 OUTLIER -72.02 54.72 0.28 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.288 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.725 ' HB3' HG23 ' B' ' 18' ' ' THR . 5.5 t-80 -65.54 66.7 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.246 -0.909 . . . . 0.0 109.088 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.835 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 29' ' ' ASN . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 27' ' ' LEU . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.835 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' ARG . 11.2 m120 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.433 ' H ' ' HG ' ' B' ' 31' ' ' SER . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.746 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' B' ' 13' ' ' ARG . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 32' ' ' LYS . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 28' ' ' GLN . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' A' ' 42' ' ' LEU . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 42' ' ' LEU . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 56' ' ' LEU . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.503 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.492 ' O ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 56' ' ' LEU . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.931 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.459 ' HB3' HG21 ' A' ' 70' ' ' VAL . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 73' ' ' LEU . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.482 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' B' ' 75' ' ' LEU . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 77' ' ' LEU . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.482 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.611 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 80' ' ' LEU . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.611 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 77' ' ' LEU . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 12.1 mt -72.15 -51.21 22.38 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.13 -51.3 70.27 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -45.17 77.45 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.571 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' NH2' ' A' ' 95' ' ' ARG . 2.5 mt-10 -68.94 -41.48 77.98 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.383 -0.823 . . . . 0.0 109.43 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.463 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 65.3 t30 -57.84 -49.15 77.63 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -55.91 -47.19 77.92 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.28 -51.12 69.36 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.278 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.432 ' HA ' ' CG ' ' B' ' 98' ' ' GLU . 25.7 t60 -64.88 -41.67 95.45 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.134 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.463 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -70.11 -47.77 60.4 Favored 'General case' 0 C--N 1.287 -2.118 0 O-C-N 121.5 -0.75 . . . . 0.0 109.333 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -73.47 -66.95 0.63 Allowed 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.17 102.34 3.08 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.823 -0.548 . . . . 0.0 109.554 -176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.53 ' CD ' HH21 ' B' ' 99' ' ' ARG . 0.0 OUTLIER -86.98 -166.33 1.54 Allowed 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 173.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.562 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -72.77 52.36 0.3 Allowed 'General case' 0 C--N 1.283 -2.314 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 175.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.675 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -88.21 -63.79 0.21 Allowed Pre-proline 0 C--N 1.293 -1.853 0 O-C-N 121.624 -0.672 . . . . 0.0 109.704 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.675 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 2.1 Cg_endo -42.86 32.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.516 2.809 0 C-N-CA 124.939 3.759 . . . . 0.0 116.668 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.639 ' N ' ' O ' ' B' ' 100' ' ' ALA . 76.9 mt -127.55 10.44 6.67 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.32 49.03 13.25 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.667 0.746 . . . . 0.0 109.772 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' B' ' 99' ' ' ARG . 2.1 mtmm -77.43 153.69 33.35 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 75.5 t80 -145.44 168.22 21.08 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 141.86 70.83 0.03 OUTLIER Glycine 0 C--N 1.279 -2.597 0 N-CA-C 106.683 -2.567 . . . . 0.0 106.683 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.917 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 3' ' ' MET . . . . . . . . 0 CA--C 1.537 1.462 1 N-CA-C 102.739 -4.144 . . . . 0.0 102.739 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -69.5 77.84 0.41 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.696 -1.473 . . . . 0.0 108.862 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -69.03 55.45 0.09 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.306 -0.871 . . . . 0.0 109.264 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -64.44 133.47 52.58 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.112 -0.992 . . . . 0.0 110.161 -177.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' ASP . . . -92.52 -13.63 56.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 6.4 p-10 12.39 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 C-N-CA 124.149 0.98 . . . . 0.0 113.183 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.53 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 69.3 -72.48 0.44 Allowed Glycine 0 C--N 1.294 -1.782 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m 53.16 54.55 10.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.606 -0.937 . . . . 0.0 108.514 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 94.7 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.713 -0.617 . . . . 0.0 110.008 -177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.16 152.43 41.19 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD13 ' NH2' ' A' ' 13' ' ' ARG . 4.1 mp -114.47 125.1 53.44 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.373 -0.829 . . . . 0.0 109.504 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.51 52.31 0.1 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' NH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.3 116.65 12.71 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 178.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' SER . 8.6 t70 -95.55 126.73 41.04 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -71.42 55.68 0.23 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 121.199 -0.938 . . . . 0.0 109.01 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -82.56 166.68 19.05 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.201 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.07 109.16 10.96 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -105.28 -159.18 0.7 Allowed 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -98.5 128.34 44.81 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mp0 -99.42 63.43 1.27 Allowed 'General case' 0 C--N 1.259 -3.328 0 CA-C-O 121.955 0.884 . . . . 0.0 108.721 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 20' ' ' GLU . 2.0 mmm180 -125.61 118.98 26.86 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.47 -51.06 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 122.856 0.463 . . . . 0.0 111.067 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' ARG . 49.2 m80 -44.67 102.57 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.533 -0.729 . . . . 0.0 110.225 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HA ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' B' ' 28' ' ' GLN . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' B' ' 21' ' ' ARG . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.408 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH2' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' B' ' 63' ' ' LEU . 9.3 mt -71.24 49.67 0.15 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.555 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . -132.06 110.54 0.96 Allowed Glycine 0 C--N 1.278 -2.673 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -150.47 157.48 27.22 Favored Glycine 0 C--N 1.27 -3.139 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.4 OUTLIER 69.13 -16.01 0.25 Allowed 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 118.209 1.004 . . . . 0.0 110.261 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.2 p30 -49.86 -31.34 11.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.46 -0.775 . . . . 0.0 108.946 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.62 -34.98 53.14 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' NH2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -67.67 -46.49 72.21 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' ASP . 38.8 t -52.55 -58.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.89 -44.02 81.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.2 mm-40 -60.55 -40.52 91.87 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.429 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD21 ' NH2' ' A' ' 69' ' ' ARG . 59.6 mt -67.23 -41.17 86.13 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.587 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HG2' HD13 ' B' ' 73' ' ' LEU . 1.8 mt-10 -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.833 -1.167 . . . . 0.0 108.326 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 72' ' ' GLU . 17.1 mt -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB3' HD21 ' B' ' 77' ' ' LEU . 4.8 tp10 -60.4 -41.21 93.39 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD23 HD12 ' B' ' 80' ' ' LEU . 24.5 mt -62.59 -50.88 69.53 Favored 'General case' 0 C--O 1.193 -1.87 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.415 ' OD1' ' NH1' ' A' ' 81' ' ' ARG . 11.3 m-20 -58.75 -38.05 77.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 28.3 ttm180 -58.45 -56.7 18.69 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.523 HD22 ' ND2' ' B' ' 84' ' ' ASN . 12.5 mt -58.19 -39.02 77.86 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH1' ' OD1' ' A' ' 78' ' ' ASP . 21.0 mtp-105 -60.82 -37.45 82.03 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.76 -52.76 64.08 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.55 -48.82 80.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.553 ' OD1' HD22 ' B' ' 80' ' ' LEU . 7.3 m120 -52.68 -49.51 65.14 Favored 'General case' 0 C--O 1.194 -1.857 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.51 -53.89 53.0 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -50.38 59.32 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.188 0.518 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 4.5 mt -71.4 -51.03 26.23 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.252 -0.905 . . . . 0.0 110.553 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -59.68 -48.48 81.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 108.964 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -42.97 75.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.46 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -41.48 98.3 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ARG . 20.9 t-20 -58.28 -50.41 73.7 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.17 -43.78 82.9 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.022 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB3' ' CG ' ' A' ' 99' ' ' ARG . 3.2 mt -63.3 -56.09 19.36 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.789 -1.194 . . . . 0.0 108.898 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.0 -34.26 63.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -76.62 -46.06 27.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -85.3 -66.56 0.88 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 112.292 -173.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.9 -174.71 3.12 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.434 -0.791 . . . . 0.0 109.278 -173.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 0.2 OUTLIER 60.73 -171.69 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.634 -0.666 . . . . 0.0 109.305 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 46.96 38.51 6.3 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -142.07 -60.47 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.956 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.723 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 11.9 Cg_endo -56.14 42.79 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.37 2.713 . . . . 0.0 112.448 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -142.51 16.1 2.01 Favored 'General case' 0 C--N 1.281 -2.404 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.4 m 63.06 -115.65 0.48 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.369 -0.832 . . . . 0.0 108.787 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER 65.44 -57.95 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 103' ' ' SER . 2.7 m-85 62.08 -46.29 0.16 Allowed 'General case' 0 N--CA 1.512 2.675 0 CA-C-O 121.153 0.502 . . . . 0.0 110.883 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 130.32 -136.88 9.14 Favored Glycine 0 C--N 1.278 -2.674 0 N-CA-C 104.243 -3.543 . . . . 0.0 104.243 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.185 -2.304 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 173.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.478 1.447 1 N-CA-C 102.204 -4.358 . . . . 0.0 102.204 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -67.61 70.35 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.834 -1.392 . . . . 0.0 109.061 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.452 ' N ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -66.89 57.5 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.837 . . . . 0.0 109.142 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -65.78 140.38 58.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.574 -0.704 . . . . 0.0 109.933 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.16 41.83 2.09 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 106.268 -2.733 . . . . 0.0 106.268 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' B' ' 8' ' ' SER . 0.9 OUTLIER -51.29 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.952 -0.734 . . . . 0.0 111.048 -175.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.44 -71.68 0.64 Allowed Glycine 0 C--N 1.283 -2.381 0 N-CA-C 108.515 -1.834 . . . . 0.0 108.515 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.422 ' N ' ' O ' ' B' ' 6' ' ' ASP . 2.5 m 49.27 65.6 1.34 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.34 -1.094 . . . . 0.0 108.744 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.17 95.86 0.19 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.55 -0.719 . . . . 0.0 110.084 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.34 163.42 17.86 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD22 ' NH1' ' B' ' 13' ' ' ARG . 4.7 mp -125.28 123.89 40.45 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 121.146 -0.971 . . . . 0.0 110.055 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -70.42 69.63 0.4 Allowed 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.436 ' NH1' HD22 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -156.86 119.43 3.98 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 16' ' ' SER . 13.0 t70 -100.39 125.92 46.7 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -69.02 50.07 0.08 Allowed 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.487 -0.758 . . . . 0.0 109.35 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER -76.71 165.08 25.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.98 89.56 2.95 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 -166.66 1.65 Allowed 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -94.52 131.58 40.09 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.545 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 2.4 mp0 -99.79 61.7 1.15 Allowed 'General case' 0 C--N 1.26 -3.306 0 CA-C-O 121.953 0.882 . . . . 0.0 109.344 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 1.4 mmm180 -123.28 117.0 24.27 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.95 -40.56 0.11 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.976 -0.452 . . . . 0.0 111.59 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' B' ' 21' ' ' ARG . 38.8 m80 -58.09 89.6 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.468 -0.77 . . . . 0.0 110.181 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.465 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.464 ' HB2' ' HG3' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 27' ' ' LEU . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.71 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 28' ' ' GLN . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' B' ' 44' ' ' LYS . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.565 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.565 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.646 ' O ' HG23 ' B' ' 70' ' ' VAL . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.556 ' NH2' HD21 ' B' ' 73' ' ' LEU . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 66' ' ' ASP . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.447 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.447 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.556 HD21 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' ' 73' ' ' LEU . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 72' ' ' GLU . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 73' ' ' LEU . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.487 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.553 HD22 ' OD1' ' A' ' 84' ' ' ASN . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' B' ' 81' ' ' ARG . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.523 ' ND2' HD22 ' A' ' 80' ' ' LEU . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' B' ' 89' ' ' THR . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 3.5 mt -70.77 -50.06 39.94 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -52.08 66.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.217 -0.927 . . . . 0.0 109.189 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.47 ' HB ' HD12 ' B' ' 85' ' ' LEU . 0.6 OUTLIER -54.06 -39.0 65.86 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' B' ' 99' ' ' ARG . 0.9 OUTLIER -66.32 -41.65 89.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.08 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -56.1 -45.37 79.46 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.802 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.539 ' HB3' ' CG ' ' B' ' 99' ' ' ARG . 5.5 mt -61.24 -55.3 33.62 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.723 -1.235 . . . . 0.0 109.085 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.469 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.4 OUTLIER -55.35 -33.6 63.53 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.312 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -78.77 -46.22 19.32 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.582 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.425 ' HG3' ' HG2' ' B' ' 95' ' ' ARG . 74.6 mt-30 -83.81 -65.27 1.03 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.766 -0.584 . . . . 0.0 111.331 -174.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.38 -174.7 2.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.45 ' HB3' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER 63.02 -168.88 0.19 Allowed 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.539 ' CG ' ' HB3' ' B' ' 93' ' ' LEU . 0.5 OUTLIER 47.38 35.63 4.17 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.733 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -139.32 -61.29 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.117 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.733 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 11.1 Cg_endo -54.95 38.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 123.754 2.969 . . . . 0.0 113.053 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -137.7 15.62 2.91 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.128 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' B' ' 105' ' ' PHE . 2.3 m 62.89 -114.12 0.46 Allowed 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 106' ' ' GLY . 0.0 OUTLIER 64.49 -54.46 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.24 -0.912 . . . . 0.0 109.192 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' B' ' 103' ' ' SER . 1.6 m-85 60.96 -66.11 0.06 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 155.28 -108.02 0.35 Allowed Glycine 0 C--N 1.277 -2.735 0 N-CA-C 104.843 -3.303 . . . . 0.0 104.843 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.186 -2.246 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 171.559 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 1 N-CA-C 102.536 -4.226 . . . . 0.0 102.536 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.59 149.29 26.06 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.93 -1.336 . . . . 0.0 107.82 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 80.07 0.17 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.399 -0.813 . . . . 0.0 109.65 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . . . -66.58 120.99 14.38 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.54 40.05 0.24 Allowed Glycine 0 C--N 1.286 -2.227 0 C-N-CA 119.171 -1.49 . . . . 0.0 109.761 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -48.73 115.57 1.3 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.561 -0.964 . . . . 0.0 108.428 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 16.1 3.1 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -90.83 77.76 6.18 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.064 -1.257 . . . . 0.0 107.665 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 3.8 mm-40 -63.14 121.83 14.62 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.488 -0.758 . . . . 0.0 109.449 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -76.28 170.93 15.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.82 112.63 1.37 Allowed 'General case' 0 C--N 1.291 -1.97 0 O-C-N 121.496 -0.753 . . . . 0.0 110.118 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 9' ' ' GLU . 21.3 mp0 -61.32 88.98 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 42.92 98.11 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 123.241 0.616 . . . . 0.0 111.004 -177.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.6 p-10 -36.99 -28.7 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 122.333 0.253 . . . . 0.0 110.743 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' ARG . 12.2 m-85 -58.89 71.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 14' ' ' ASP . 1.1 m -70.49 60.1 0.21 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.5 mm-40 65.13 145.24 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.512 0.672 . . . . 0.0 109.696 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 19' ' ' TYR . 2.0 t -95.84 -134.77 0.21 Allowed 'General case' 0 C--N 1.276 -2.605 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' N ' ' OG1' ' A' ' 18' ' ' THR . 1.5 p90 -65.37 -173.9 0.16 Allowed 'General case' 0 C--N 1.262 -3.232 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 38.79 62.83 0.99 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.763 0.792 . . . . 0.0 111.083 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -78.7 126.79 31.21 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.8 66.83 0.78 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.42 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 50.75 -90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.719 -0.613 . . . . 0.0 110.932 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.563 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' B' ' 39' ' ' TYR . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.777 ' HG3' HD13 ' B' ' 36' ' ' ILE . 1.1 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.432 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 32' ' ' LYS . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' B' ' 27' ' ' LEU . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 49' ' ' MET . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' GLY . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 63' ' ' LEU . 6.9 mt -75.1 60.81 1.05 Allowed 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -166.67 64.66 0.21 Allowed Glycine 0 C--N 1.289 -2.062 0 N-CA-C 105.277 -3.129 . . . . 0.0 105.277 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.18 -52.08 0.61 Allowed Glycine 0 N--CA 1.484 1.846 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.1 m-20 -69.39 -19.14 63.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.798 -1.413 . . . . 0.0 109.917 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -26.8 4.27 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.524 -0.735 . . . . 0.0 110.607 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -38.45 60.95 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -61.75 -47.24 86.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 174.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG13 ' CD1' ' B' ' 73' ' ' LEU . 66.8 t -51.88 -56.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -41.51 69.37 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.85 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.6 mt-10 -59.55 -41.64 90.56 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' CD1' HG13 ' B' ' 70' ' ' VAL . 42.1 mt -70.59 -37.05 73.86 Favored 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.332 -0.855 . . . . 0.0 109.063 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.0 -44.21 91.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.9 mt -63.22 -46.45 86.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.21 -48.37 81.87 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.78 -49.12 68.94 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' OD1' ' NH1' ' A' ' 81' ' ' ARG . 31.9 m-20 -59.43 -37.0 76.96 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 tmt_? -60.54 -50.66 72.67 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD22 ' OD1' ' B' ' 84' ' ' ASN . 12.1 mt -59.36 -41.44 89.27 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.459 -0.775 . . . . 0.0 109.028 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 78' ' ' ASP . 60.5 mtp180 -59.87 -35.86 75.7 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.96 -49.24 78.44 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.507 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 2.2 mt-10 -62.45 -53.14 59.22 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.546 ' ND2' HD22 ' B' ' 80' ' ' LEU . 30.5 m-80 -49.03 -48.14 44.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.96 -54.94 41.26 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -54.79 -41.74 70.95 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.345 0.593 . . . . 0.0 109.852 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' B' ' 88' ' ' LEU . 12.9 mt -74.21 -48.66 27.49 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 121.022 -1.049 . . . . 0.0 109.884 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -63.58 -49.7 72.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.338 -0.851 . . . . 0.0 108.76 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -43.34 62.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.948 -1.095 . . . . 0.0 108.754 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.28 -45.56 69.36 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.586 -0.696 . . . . 0.0 109.34 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.62 -49.56 64.87 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' CD ' HH21 ' A' ' 95' ' ' ARG . 0.4 OUTLIER -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.012 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 42.9 mt -54.26 -31.74 54.4 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.795 -1.191 . . . . 0.0 109.943 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.491 ' ND1' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -80.91 -49.16 11.36 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 92' ' ' GLU . 31.1 mtm105 -70.63 -32.31 69.58 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 121.96 -0.463 . . . . 0.0 111.355 -176.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -85.73 -23.5 27.32 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.045 -1.034 . . . . 0.0 110.049 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 13.0 mp0 -104.61 -161.93 0.85 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' OE2' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER 21.92 -86.54 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.856 0.862 . . . . 0.0 112.933 176.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.412 ' NE ' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.45 51.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.403 -0.81 . . . . 0.0 109.843 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -141.95 -66.03 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.698 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 6.3 Cg_exo -38.02 93.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 123.342 2.694 . . . . 0.0 112.765 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 39.03 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.312 -0.867 . . . . 0.0 110.084 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -130.79 3.02 4.46 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.054 -1.029 . . . . 0.0 108.354 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -72.65 53.62 0.32 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 107' ' ' ASP . 64.5 m-85 -61.12 -35.02 75.91 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.84 -57.62 0.99 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 105' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.233 0 CA-C-O 118.56 -0.734 . . . . 0.0 110.618 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 1 N-CA-C 102.619 -4.192 . . . . 0.0 102.619 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -49.06 144.74 4.59 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.319 -1.106 . . . . 0.0 108.888 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.18 77.21 0.05 Allowed 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.535 0.683 . . . . 0.0 109.894 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -59.81 119.63 8.05 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.94 34.74 0.62 Allowed Glycine 0 N--CA 1.495 2.614 0 C-N-CA 119.294 -1.431 . . . . 0.0 109.689 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.37 108.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.57 21.09 13.28 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.57 74.31 1.88 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.0 -1.294 . . . . 0.0 108.514 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.93 123.54 17.37 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.488 -0.757 . . . . 0.0 109.074 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -75.83 176.87 7.39 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 112.7 2.89 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.88 -1.137 . . . . 0.0 109.588 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' B' ' 12' ' ' GLN . 21.6 mp0 -58.65 89.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 42.81 104.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 123.572 0.749 . . . . 0.0 111.454 -178.053 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 16' ' ' SER . 5.1 p-10 -41.33 -22.61 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 O-C-N 121.903 -0.498 . . . . 0.0 110.859 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' O ' ' NH1' ' B' ' 13' ' ' ARG . 16.6 m-85 -66.88 67.14 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -69.1 65.66 0.15 Allowed 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.7 mm-40 60.91 144.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.909 0.862 . . . . 0.0 110.915 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' B' ' 19' ' ' TYR . 2.3 t -97.9 -135.76 0.26 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.479 ' N ' ' OG1' ' B' ' 18' ' ' THR . 2.3 p90 -60.55 -172.62 0.02 OUTLIER 'General case' 0 C--N 1.269 -2.909 0 CA-C-O 121.399 0.618 . . . . 0.0 110.513 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 35.74 56.65 0.94 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.598 0.713 . . . . 0.0 111.837 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' B' ' 23' ' ' HIS . 2.7 mtt85 -71.32 124.29 24.22 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -69.65 62.58 0.17 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.458 -0.776 . . . . 0.0 109.574 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' B' ' 21' ' ' ARG . 69.5 m-70 54.36 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 111.225 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.544 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 39' ' ' TYR . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.795 ' HG3' HD13 ' A' ' 36' ' ' ILE . 1.1 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.777 HD13 ' HG3' ' A' ' 28' ' ' GLN . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 27' ' ' LEU . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' B' ' 57' ' ' ARG . 3.0 m120 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 63' ' ' LEU . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.592 ' HB2' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 73' ' ' LEU . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.583 ' CD1' HG13 ' A' ' 70' ' ' VAL . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 80' ' ' LEU . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.455 ' OD1' ' NH1' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.51 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.546 HD22 ' ND2' ' A' ' 84' ' ' ASN . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' NH1' ' OD1' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.51 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.507 ' OD1' HD22 ' A' ' 80' ' ' LEU . 8.8 m120 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' B' ' 89' ' ' THR . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.477 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.527 HD22 ' HG ' ' A' ' 88' ' ' LEU . 14.7 mt -76.29 -50.75 13.54 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.26 -46.99 88.08 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.5 OUTLIER -54.7 -43.44 72.53 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.085 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.26 -43.77 77.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.84 . . . . 0.0 109.339 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -55.19 -49.45 71.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' B' ' 95' ' ' ARG . 0.5 OUTLIER -56.77 -46.06 81.7 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.718 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 57.6 mt -53.92 -28.04 34.38 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.848 -1.157 . . . . 0.0 109.889 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.85 -52.51 6.31 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' B' ' 92' ' ' GLU . 24.4 mtm105 -66.36 -33.34 75.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.75 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -21.43 29.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.995 -176.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' B' ' 98' ' ' GLU . 12.7 mp0 -106.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER 19.5 -84.04 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.8 0.84 . . . . 0.0 112.822 176.575 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.454 ' NE ' ' OE2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.47 44.88 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.293 -0.88 . . . . 0.0 109.841 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.732 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -133.73 -68.41 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 108.483 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.732 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 5.8 Cg_exo -36.85 99.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 123.367 2.711 . . . . 0.0 112.708 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' B' ' 102' ' ' LEU . 0.7 OUTLIER -62.3 -14.72 42.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.922 -1.111 . . . . 0.0 109.777 -178.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.7 OUTLIER -76.96 2.16 15.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.043 -1.036 . . . . 0.0 110.628 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -69.75 66.96 0.24 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.731 -1.231 . . . . 0.0 108.389 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' B' ' 103' ' ' SER . 79.1 m-85 -72.29 -34.38 68.13 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.265 -0.897 . . . . 0.0 109.36 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.47 -62.19 2.72 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.506 2.346 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.989 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 1 N-CA-C 102.545 -4.222 . . . . 0.0 102.545 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -66.02 92.5 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -1.088 . . . . 0.0 108.843 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -67.84 50.48 0.06 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -149.32 144.64 26.58 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.16 -160.22 20.39 Favored Glycine 0 C--N 1.287 -2.192 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.65 -170.56 3.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 54.22 32.13 50.51 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 177.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.08 57.5 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.494 -1.003 . . . . 0.0 110.085 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' GLY . 48.8 mt-10 -56.51 125.31 21.54 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.994 -1.066 . . . . 0.0 108.39 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -76.21 128.6 35.27 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -103.3 123.76 47.39 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 63.8 mt-30 -68.94 -170.8 0.25 Allowed 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 11' ' ' LEU . 52.3 mmt-85 -149.14 27.16 0.86 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -76.72 -7.82 56.08 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -46.17 -34.34 4.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.623 -0.673 . . . . 0.0 109.874 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m 56.22 -161.42 0.19 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.21 173.56 8.72 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.026 -1.046 . . . . 0.0 108.572 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -75.02 169.49 17.89 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -159.89 -168.34 2.21 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 177.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' C ' ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -72.19 58.24 0.37 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' CA ' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -103.07 102.02 12.02 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 120.769 -1.207 . . . . 0.0 107.784 -177.04 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' C ' ' H ' ' A' ' 24' ' ' THR . 60.3 m-85 -86.62 -95.66 0.08 Allowed 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.364 -174.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -69.56 38.11 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.569 ' HB ' HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' B' ' 39' ' ' TYR . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.661 ' HG3' HD13 ' B' ' 36' ' ' ILE . 0.8 OUTLIER -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 34' ' ' GLU . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.752 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' SER . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' B' ' 28' ' ' GLN . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD12 ' HD3' ' B' ' 21' ' ' ARG . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.463 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 49' ' ' MET . 4.2 m120 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 51' ' ' ASP . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 56' ' ' LEU . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt -121.87 135.01 54.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -123.08 134.13 9.36 Favored Glycine 0 C--N 1.29 -1.999 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.619 ' N ' HD23 ' B' ' 63' ' ' LEU . . . -76.61 43.19 1.84 Allowed Glycine 0 N--CA 1.5 2.926 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 4.1 m-20 -101.71 0.7 36.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.518 -0.99 . . . . 0.0 109.625 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.87 -38.9 17.21 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.589 -1.32 . . . . 0.0 110.634 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.38 -27.23 60.56 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.056 . . . . 0.0 108.2 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.551 HH22 ' CD ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -67.79 -44.96 76.15 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.186 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG22 HG22 ' B' ' 70' ' ' VAL . 26.8 t -54.15 -59.28 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.6 mtm105 -57.22 -41.91 80.35 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.944 -176.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.74 -38.99 87.03 Favored 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.603 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' B' ' 70' ' ' VAL . 72.9 mt -67.44 -44.56 78.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.682 -0.636 . . . . 0.0 109.789 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' CD ' HH12 ' B' ' 69' ' ' ARG . 0.8 OUTLIER -60.13 -47.1 87.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 107.99 177.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 71' ' ' ARG . 3.1 mt -57.45 -41.94 81.53 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.28 -0.888 . . . . 0.0 108.671 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD23 HD12 ' B' ' 80' ' ' LEU . 26.0 mt -60.34 -40.54 91.03 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -60.22 -43.14 96.26 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.364 -0.835 . . . . 0.0 108.841 176.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.516 HD12 HD23 ' B' ' 77' ' ' LEU . 11.3 mt -57.97 -42.7 85.57 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.4 -0.813 . . . . 0.0 109.183 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.461 HH22 ' CG ' ' A' ' 78' ' ' ASP . 5.3 mtm-85 -63.27 -37.15 86.12 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -55.29 36.31 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.532 HD22 ' HB3' ' B' ' 83' ' ' GLU . 8.8 m120 -47.7 -48.66 29.32 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -55.77 -55.24 34.75 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -54.74 -51.58 65.22 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' B' ' 88' ' ' LEU . 29.7 mt -59.93 -49.48 77.52 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -64.28 -43.62 94.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -62.9 -38.83 92.5 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.205 -0.934 . . . . 0.0 108.816 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.1 mt-10 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.566 -1.334 . . . . 0.0 108.123 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.566 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 22.3 t-20 -60.96 -46.4 90.88 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 89' ' ' THR . 37.4 mt-10 -51.79 -50.38 60.86 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 90' ' ' GLU . 13.3 mt -54.16 -23.7 15.27 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.299 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' B' ' 94' ' ' HIS . 8.2 t60 -85.24 -56.53 3.49 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.856 -1.153 . . . . 0.0 108.318 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.566 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -66.12 -36.24 82.63 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 111.807 -176.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -77.67 -27.52 50.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.389 -175.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -71.41 61.5 0.33 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.404 1.097 . . . . 0.0 108.125 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLN . 9.5 mt-10 -75.12 -40.8 59.56 Favored 'General case' 0 C--N 1.266 -3.031 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 103' ' ' SER . 0.2 OUTLIER -80.44 34.87 0.33 Allowed 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.025 -1.047 . . . . 0.0 109.392 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.638 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -105.16 -64.07 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.638 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.1 Cg_exo -35.52 116.92 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 C-N-CA 123.045 2.497 . . . . 0.0 112.162 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' B' ' 105' ' ' PHE . 0.3 OUTLIER 50.38 11.95 0.08 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.952 -0.468 . . . . 0.0 110.584 -179.129 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 1.9 m -125.67 -113.91 0.29 Allowed 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.09 60.49 1.44 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.089 -1.632 . . . . 0.0 108.256 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' B' ' 102' ' ' LEU . 55.0 p90 -96.69 163.39 13.03 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.27 30.37 0.09 OUTLIER Glycine 0 N--CA 1.499 2.878 0 N-CA-C 106.537 -2.625 . . . . 0.0 106.537 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.188 -2.164 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.838 -175.099 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 1 N-CA-C 102.087 -4.405 . . . . 0.0 102.087 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.45 94.45 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -1.189 . . . . 0.0 108.48 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.07 53.59 0.13 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.818 -1.176 . . . . 0.0 109.312 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -150.84 148.65 28.74 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.86 -171.45 16.36 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.418 -1.873 . . . . 0.0 108.418 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -140.36 -162.73 1.4 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.965 -1.315 . . . . 0.0 108.982 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.81 33.33 27.58 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.77 56.35 0.09 Allowed 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.899 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.99 136.54 47.58 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -83.13 137.95 33.87 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.499 ' O ' ' NH1' ' B' ' 13' ' ' ARG . 5.4 mp -112.23 121.92 46.27 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -67.0 -169.48 0.09 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' B' ' 11' ' ' LEU . 48.9 mmt-85 -149.29 30.5 0.77 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -80.07 -8.74 59.54 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -43.88 -34.62 1.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 57.17 -166.76 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.82 170.38 11.24 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.259 -0.901 . . . . 0.0 108.8 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -74.57 159.39 32.23 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' B' ' 21' ' ' ARG . 1.7 m-85 -150.88 -166.99 2.69 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' B' ' 21' ' ' ARG . 0.7 OUTLIER -72.27 58.65 0.39 Allowed 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 176.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.564 ' CA ' ' HE ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -105.81 102.8 12.22 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' B' ' 24' ' ' THR . 34.4 m-85 -88.6 -92.69 0.11 Allowed 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.852 -0.53 . . . . 0.0 110.525 -174.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 -71.01 37.24 0.05 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.05 -1.031 . . . . 0.0 109.812 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.623 ' HB ' HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.525 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.635 ' HG3' HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.49 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' HG3' ' A' ' 28' ' ' GLN . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.523 ' CD2' HD22 ' A' ' 27' ' ' LEU . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 ' HD3' ' A' ' 21' ' ' ARG . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' B' ' 46' ' ' LEU . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 49' ' ' MET . 3.0 m120 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 61' ' ' LYS . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 58' ' ' LEU . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.54 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.583 ' HB3' HG21 ' A' ' 70' ' ' VAL . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.438 HH12 ' CD ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 66' ' ' ASP . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.693 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 70' ' ' VAL . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.551 ' CD ' HH22 ' A' ' 69' ' ' ARG . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.693 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 80' ' ' LEU . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.526 HD12 HD23 ' A' ' 77' ' ' LEU . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 81' ' ' ARG . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.532 ' HB3' HD22 ' A' ' 84' ' ' ASN . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 88' ' ' LEU . 49.8 mt -59.98 -49.66 76.81 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.04 -44.98 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' B' ' 92' ' ' GLU . 0.5 OUTLIER -61.2 -38.74 87.66 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.318 -0.864 . . . . 0.0 108.945 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HA ' HD12 ' B' ' 93' ' ' LEU . 0.9 OUTLIER -69.33 -39.31 78.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.882 -1.136 . . . . 0.0 108.293 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.588 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 26.5 t-20 -60.81 -46.21 91.4 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 89' ' ' THR . 32.2 mt-10 -52.02 -50.76 60.78 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' B' ' 90' ' ' GLU . 9.4 mt -53.33 -23.05 8.32 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.139 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' A' ' 94' ' ' HIS . 13.4 t60 -85.49 -57.98 2.85 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 0.8 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.836 -0.54 . . . . 0.0 111.776 -176.314 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -77.71 -31.81 52.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.636 -0.665 . . . . 0.0 109.502 -174.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -68.61 63.75 0.11 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 96' ' ' GLN . 40.0 mt-10 -78.36 -35.34 47.52 Favored 'General case' 0 C--N 1.264 -3.13 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.8 31.46 0.36 Allowed 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.478 -0.764 . . . . 0.0 109.536 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.655 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -103.16 -64.84 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.59 -0.694 . . . . 0.0 109.511 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.655 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 3.5 Cg_exo -35.58 113.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.484 0.946 0 C-N-CA 123.118 2.546 . . . . 0.0 112.233 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.43 HD11 ' CD2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER 52.5 14.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.58 -0.7 . . . . 0.0 110.624 -179.449 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -126.29 -106.89 0.32 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.434 ' H ' ' HB2' ' B' ' 103' ' ' SER . 0.5 OUTLIER -82.81 56.84 3.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.626 177.337 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 102' ' ' LEU . 49.0 p90 -90.4 159.76 16.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.086 -1.009 . . . . 0.0 109.075 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.8 32.8 0.23 Allowed Glycine 0 N--CA 1.498 2.789 0 N-CA-C 107.338 -2.305 . . . . 0.0 107.338 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.757 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.88 ' HA2' ' HB3' ' A' ' 6' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.907 1 N-CA-C 102.873 -4.091 . . . . 0.0 102.873 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -68.66 86.93 0.32 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.591 -1.535 . . . . 0.0 108.24 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mmm 66.42 -54.05 0.41 Allowed 'General case' 0 N--CA 1.512 2.63 0 O-C-N 121.523 -0.736 . . . . 0.0 109.065 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -76.23 168.75 19.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.17 -43.52 99.0 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 108.744 -1.742 . . . . 0.0 108.744 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.88 ' HB3' ' HA2' ' A' ' 1' ' ' GLY . 29.3 t70 54.81 90.63 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 O-C-N 122.155 -0.615 . . . . 0.0 110.306 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 172.03 -39.65 0.17 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -65.07 56.21 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.679 -0.895 . . . . 0.0 111.153 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -69.78 69.72 0.31 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.202 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' SER . 37.0 p90 -67.54 136.07 53.97 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 121.371 -0.831 . . . . 0.0 109.7 -176.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.726 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.1 157.15 45.69 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -126.32 -17.99 5.03 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.078 -1.013 . . . . 0.0 109.036 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 44.12 62.73 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 27.1 t0 -62.94 162.19 11.7 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.687 -1.258 . . . . 0.0 108.981 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -76.71 68.89 3.02 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HG ' HH12 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -53.13 -54.29 37.93 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -177.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 47.83 -156.7 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.999 0.904 . . . . 0.0 111.8 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 m -167.42 132.33 1.95 Allowed 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -147.16 146.27 29.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 108.824 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.07 72.14 1.22 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 24' ' ' THR . 4.6 mmp_? -115.58 105.78 13.17 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.392 -0.817 . . . . 0.0 108.868 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 24' ' ' THR . 91.5 m-85 -97.22 162.0 13.55 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 69.65 -57.38 0.55 Allowed 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.682 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' THR . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.492 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 ' HG3' ' B' ' 28' ' ' GLN . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.531 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.737 ' SD ' HD11 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 56' ' ' LEU . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.641 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 3.6 m120 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' B' ' 57' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' CZ ' HD21 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' B' ' 63' ' ' LEU . 5.9 mt -111.49 122.36 47.64 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.35 144.37 15.96 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 120.944 -1.098 . . . . 0.0 110.999 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.69 57.56 4.92 Favored Glycine 0 N--CA 1.484 1.853 0 N-CA-C 107.242 -2.343 . . . . 0.0 107.242 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -68.15 -7.58 31.21 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.454 -1.027 . . . . 0.0 109.152 -178.359 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -45.91 -33.56 3.33 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.859 -0.525 . . . . 0.0 110.131 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.52 -37.75 59.86 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.61 ' NH2' HD21 ' A' ' 73' ' ' LEU . 28.8 tpt180 -65.27 -41.27 94.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG13 ' HG3' ' B' ' 69' ' ' ARG . 43.9 t -53.88 -56.11 10.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -59.19 -39.25 82.0 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.621 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 75' ' ' LEU . 12.0 mt-10 -54.41 -47.58 72.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.61 HD21 ' NH2' ' A' ' 69' ' ' ARG . 32.9 mt -68.49 -38.77 81.28 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.465 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.13 -39.46 94.76 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.7 mt -64.48 -45.18 88.45 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.54 -42.56 92.62 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD12 ' B' ' 80' ' ' LEU . 28.1 mt -60.28 -44.19 95.57 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -57.03 -40.85 77.5 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -61.18 -48.32 82.09 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 13.6 mt -68.36 -38.01 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.208 -0.933 . . . . 0.0 109.174 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' A' ' 78' ' ' ASP . 12.4 mtm-85 -61.22 -33.97 74.35 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.71 80.57 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.04 -49.65 71.54 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.96 -49.47 50.1 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -52.07 67.02 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -50.46 73.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.204 -0.935 . . . . 0.0 109.502 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 11.6 mt -66.49 -49.72 65.66 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 121.867 -0.521 . . . . 0.0 109.741 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.68 76.53 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.5 92.63 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 118.574 -1.25 . . . . 0.0 109.067 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 93' ' ' LEU . 6.6 mt-10 -61.78 -47.78 83.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.716 -1.24 . . . . 0.0 109.293 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 26.8 t-20 -54.66 -48.08 72.76 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.08 -44.08 91.85 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.615 -0.678 . . . . 0.0 109.664 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 90' ' ' GLU . 9.0 mt -59.31 -49.71 76.79 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.767 -1.208 . . . . 0.0 109.264 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.421 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.0 OUTLIER -72.81 -24.39 60.9 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.338 -0.851 . . . . 0.0 110.19 -177.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.1 mtt85 -82.89 -51.32 7.73 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 121.051 -1.03 . . . . 0.0 108.517 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 98' ' ' GLU . 79.4 mt-30 -63.15 -63.07 1.3 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 mp0 -78.34 44.8 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.515 ' O ' ' NE ' ' A' ' 99' ' ' ARG . 3.3 tp10 9.26 -98.96 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.609 1.164 . . . . 0.0 111.914 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' NH1' ' OG ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -113.73 39.48 2.66 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.376 -1.452 . . . . 0.0 108.86 -178.068 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -76.19 -66.37 0.38 Allowed Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.634 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 2.8 Cg_exo -32.48 88.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.977 3.118 . . . . 0.0 113.297 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.5 mt 40.74 31.77 0.13 Allowed 'General case' 0 N--CA 1.512 2.625 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.612 ' OG ' ' NH1' ' B' ' 99' ' ' ARG . 60.5 m -117.66 25.56 10.31 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.063 -1.023 . . . . 0.0 111.39 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 106' ' ' GLY . 1.8 pttm -69.06 63.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.0 OUTLIER 67.57 -61.71 0.35 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -175.189 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 65.4 -74.95 0.09 OUTLIER Glycine 0 N--CA 1.495 2.601 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 175.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.185 -2.331 0 O-C-N 121.541 -0.976 . . . . 0.0 108.444 -179.112 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.658 ' HA2' ' HB3' ' B' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 103.277 -3.929 . . . . 0.0 103.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.74 91.07 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.362 -1.081 . . . . 0.0 109.035 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mmm 64.25 -57.45 0.23 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -74.98 166.81 23.08 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.16 97.2 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.658 ' HB3' ' HA2' ' B' ' 1' ' ' GLY . 14.4 t0 54.55 79.65 0.14 Allowed 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.849 0.833 . . . . 0.0 109.695 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -174.7 -37.25 0.04 OUTLIER Glycine 0 C--N 1.279 -2.624 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.1 OUTLIER -66.08 54.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -1.141 . . . . 0.0 111.57 -178.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' B' ' 7' ' ' GLY . 1.2 mp0 -69.85 66.35 0.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 175.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 8' ' ' SER . 26.2 p90 -67.78 132.36 47.28 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 121.121 -0.987 . . . . 0.0 110.538 -174.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.744 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -138.74 151.14 46.86 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -118.79 -24.27 6.71 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.381 -0.824 . . . . 0.0 109.149 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.509 HH12 ' HG ' ' B' ' 16' ' ' SER . 0.0 OUTLIER 49.72 68.05 0.8 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.803 0.811 . . . . 0.0 110.4 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.07 161.91 17.92 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.263 -0.898 . . . . 0.0 109.059 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -79.41 71.63 5.99 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.509 ' HG ' HH12 ' B' ' 13' ' ' ARG . 1.1 m -54.64 -58.8 6.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.866 -0.521 . . . . 0.0 109.99 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 44.4 -159.29 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 121.536 0.684 . . . . 0.0 111.384 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.2 m -165.33 123.59 1.63 Allowed 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -136.61 150.62 48.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.49 -0.756 . . . . 0.0 109.094 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.46 71.21 1.33 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.422 ' HB3' HG21 ' B' ' 24' ' ' THR . 2.6 mmp_? -113.2 105.48 13.49 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.223 -0.923 . . . . 0.0 109.135 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.582 ' O ' ' N ' ' B' ' 24' ' ' THR . 90.0 m-85 -94.22 161.25 14.34 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.059 -1.025 . . . . 0.0 108.404 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 67.93 -56.21 0.48 Allowed 'General case' 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -173.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.701 HG22 ' OE1' ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ASN . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' A' ' 36' ' ' ILE . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.701 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.9 OUTLIER -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.478 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' B' ' 34' ' ' GLU . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 28' ' ' GLN . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.728 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.702 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' B' ' 56' ' ' LEU . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' ' HD2' ' B' ' 57' ' ' ARG . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.702 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 57' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.564 ' HG3' HD21 ' A' ' 56' ' ' LEU . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.589 ' HG3' HG13 ' A' ' 70' ' ' VAL . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.593 HG13 ' HG3' ' A' ' 69' ' ' ARG . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 72' ' ' GLU . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 80' ' ' LEU . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 0.7 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -67.39 -49.36 64.21 Favored 'General case' 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -48.0 82.58 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 118.455 -1.298 . . . . 0.0 109.429 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' B' ' 93' ' ' LEU . 7.7 mt-10 -62.75 -46.31 88.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.18 -0.95 . . . . 0.0 109.044 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.44 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 28.1 t-20 -55.64 -48.72 74.51 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.21 -44.67 83.91 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.659 -0.651 . . . . 0.0 109.605 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 90' ' ' GLU . 5.3 mt -59.62 -51.51 69.5 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.611 -1.306 . . . . 0.0 109.632 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.479 ' O ' ' NH2' ' B' ' 99' ' ' ARG . 1.4 t-80 -71.8 -22.74 61.53 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.208 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.44 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt85 -83.93 -49.49 8.93 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 122.033 0.92 . . . . 0.0 108.698 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' B' ' 98' ' ' GLU . 87.8 mt-30 -67.11 -56.91 8.01 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' ALA . 5.2 mp0 -81.43 44.38 0.79 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.547 ' O ' ' NE ' ' B' ' 99' ' ' ARG . 4.5 tp10 8.66 -97.35 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.515 1.126 . . . . 0.0 111.552 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.612 ' NH1' ' OG ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -113.62 38.17 3.01 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.261 -1.524 . . . . 0.0 109.377 -178.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.646 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -76.07 -66.74 0.36 Allowed Pre-proline 0 C--N 1.297 -1.68 0 O-C-N 121.29 -0.881 . . . . 0.0 109.265 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.646 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 2.7 Cg_exo -33.23 91.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 123.718 2.945 . . . . 0.0 112.802 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 24.0 mt 38.0 36.85 0.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 121.059 0.457 . . . . 0.0 109.801 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.575 ' OG ' ' NH1' ' A' ' 99' ' ' ARG . 53.3 m -122.24 24.72 9.3 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.192 -0.943 . . . . 0.0 111.315 -173.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.4 pttm -69.72 63.04 0.18 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.6 OUTLIER 67.94 -64.51 0.28 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 68.81 -75.39 0.31 Allowed Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.982 -1.074 . . . . 0.0 110.419 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 N--CA 1.504 2.258 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 1 N-CA-C 102.015 -4.434 . . . . 0.0 102.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.66 -119.4 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.526 -0.984 . . . . 0.0 108.481 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 5' ' ' GLY . 20.5 mtp -118.16 -42.57 2.79 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.095 -1.003 . . . . 0.0 108.787 176.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.83 -65.72 0.09 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -85.56 78.88 1.93 Allowed Glycine 0 C--N 1.284 -2.331 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 175.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.88 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 28.11 2.34 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 61.47 0.19 Allowed 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.519 -0.989 . . . . 0.0 110.142 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.48 160.64 5.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 20.0 p90 -73.43 117.85 15.67 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -94.02 113.57 25.57 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 33' ' ' GLN . 27.9 mt-30 -58.49 127.24 31.17 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -154.32 132.66 11.92 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.93 171.46 8.34 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 1.2 m-30 -134.55 44.96 2.62 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -35.29 76.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 108.513 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' B' ' 37' ' ' LYS . 28.6 mp0 -70.72 57.91 0.2 Allowed 'General case' 0 C--N 1.283 -2.292 0 O-C-N 121.564 -0.71 . . . . 0.0 109.815 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 73.95 123.16 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.55 0.691 . . . . 0.0 109.989 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.51 -178.42 5.24 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 46.9 39.24 7.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.424 -0.798 . . . . 0.0 109.421 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NE ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.33 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.942 -0.474 . . . . 0.0 109.803 -178.744 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.3 m-85 -60.45 177.06 0.3 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 -56.59 86.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.715 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.715 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.1 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' B' ' 13' ' ' ARG . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.577 HD13 ' HG3' ' B' ' 28' ' ' GLN . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' B' ' 17' ' ' GLU . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD21 HG23 ' B' ' 24' ' ' THR . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.472 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' ND2' ' SD ' ' B' ' 49' ' ' MET . 5.8 m120 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt -128.8 147.23 50.77 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.628 ' H ' ' C ' ' B' ' 64' ' ' GLY . . . -132.19 -114.96 1.63 Allowed Glycine 0 N--CA 1.512 3.734 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' B' ' 64' ' ' GLY . . . 151.83 77.39 0.02 OUTLIER Glycine 1 N--CA 1.519 4.188 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 177.089 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -151.11 -9.66 0.23 Allowed 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.873 -0.781 . . . . 0.0 110.109 -170.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -36.18 6.69 Favored 'General case' 0 N--CA 1.517 2.877 0 O-C-N 121.366 -0.834 . . . . 0.0 110.744 -176.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.96 62.95 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 72' ' ' GLU . 8.8 tpp180 -76.04 -43.65 42.93 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 173.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG13 HD11 ' B' ' 73' ' ' LEU . 70.3 t -49.02 -52.8 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 17.5 ttm105 -56.22 -46.49 79.48 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.049 -177.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HA ' HD12 ' A' ' 75' ' ' LEU . 94.6 mt-10 -59.67 -42.27 92.5 Favored 'General case' 0 C--N 1.285 -2.2 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.753 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.599 ' CD1' HG13 ' B' ' 70' ' ' VAL . 64.0 mt -66.02 -37.44 85.91 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.29 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.51 -49.05 76.87 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 72' ' ' GLU . 5.5 mt -58.77 -41.29 86.24 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.99 -43.38 92.77 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' B' ' 73' ' ' LEU . 27.0 mt -60.98 -44.72 96.97 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.293 -0.879 . . . . 0.0 108.794 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.4 OUTLIER -58.91 -42.32 89.34 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.63 177.58 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 19.6 tpp180 -59.66 -56.26 24.11 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 10.1 mt -57.06 -43.71 82.3 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.43 -0.794 . . . . 0.0 109.213 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' A' ' 78' ' ' ASP . 7.7 mtm-85 -60.07 -34.84 73.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -63.12 -52.63 61.81 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.21 -52.98 59.54 Favored 'General case' 0 C--O 1.193 -1.909 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -52.83 -49.84 64.91 Favored 'General case' 0 C--O 1.19 -2.04 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.678 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.44 -55.1 35.65 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -57.41 -54.8 42.7 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.451 0.643 . . . . 0.0 109.783 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 12.6 mt -61.86 -49.91 74.35 Favored 'General case' 0 C--N 1.283 -2.304 0 O-C-N 121.393 -0.817 . . . . 0.0 110.479 -176.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -51.69 68.25 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -44.8 90.06 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.044 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.429 ' CD ' HH22 ' B' ' 95' ' ' ARG . 3.7 mm-40 -64.23 -36.74 85.06 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.884 -1.135 . . . . 0.0 109.66 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.519 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 55.7 t30 -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 1.2 mm-40 -54.97 -52.72 62.18 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' C ' HE21 ' A' ' 97' ' ' GLN . 0.4 OUTLIER -54.41 -23.66 16.74 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -0.819 . . . . 0.0 110.121 179.264 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' B' ' 94' ' ' HIS . 7.0 t-160 -86.22 -68.09 0.76 Allowed 'General case' 0 C--N 1.286 -2.153 0 O-C-N 121.631 -0.668 . . . . 0.0 109.953 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.519 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 7.9 mmt180 -50.94 -44.16 60.27 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.537 0.684 . . . . 0.0 110.363 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.605 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 76.6 mt-30 -50.35 -45.68 55.24 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.605 ' NE2' ' HB2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -109.01 23.35 14.67 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.549 -0.719 . . . . 0.0 110.523 -175.465 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -68.38 -96.29 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.679 178.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.51 ' N ' ' HD2' ' A' ' 99' ' ' ARG . 3.3 mmm180 -84.66 44.47 1.06 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 120.654 -1.278 . . . . 0.0 107.843 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -88.12 -55.59 0.33 Allowed Pre-proline 0 N--CA 1.491 1.615 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.352 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -41.24 95.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.909 2.406 . . . . 0.0 112.21 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.67 -43.48 98.69 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.09 132.94 48.48 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.57 50.55 3.51 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -67.46 44.78 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.471 -0.768 . . . . 0.0 110.182 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.87 41.97 98.58 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.499 2.007 0 O-C-N 121.431 -1.04 . . . . 0.0 108.276 178.777 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 1 N-CA-C 102.943 -4.063 . . . . 0.0 102.943 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.45 -124.03 2.19 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.113 -1.228 . . . . 0.0 108.226 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.501 ' O ' ' N ' ' B' ' 5' ' ' GLY . 9.8 mtp -112.86 -42.65 3.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.159 -0.963 . . . . 0.0 108.656 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.93 -67.79 0.1 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -84.7 77.09 2.15 Favored Glycine 0 C--N 1.285 -2.304 0 N-CA-C 107.294 -2.323 . . . . 0.0 107.294 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.35 -110.03 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 122.067 -0.667 . . . . 0.0 109.351 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 29.71 2.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.62 0.18 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.955 -0.732 . . . . 0.0 109.924 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 148.17 12.37 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.401 ' O ' ' CG ' ' B' ' 10' ' ' PHE . 26.3 p90 -64.39 117.0 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.424 -0.911 . . . . 0.0 108.623 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.64 120.3 31.6 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.085 -1.009 . . . . 0.0 109.069 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 26.7 mt-30 -62.15 131.52 49.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 176.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -159.33 128.94 5.48 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.925 -1.11 . . . . 0.0 109.333 -176.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -164.94 175.88 9.14 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' B' ' 21' ' ' ARG . 1.1 m-30 -139.59 34.69 2.02 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -36.11 63.61 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 37' ' ' LYS . 19.3 mp0 -70.2 58.38 0.17 Allowed 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.568 -0.708 . . . . 0.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.45 110.8 0.07 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.337 0.589 . . . . 0.0 110.447 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.6 177.1 2.12 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 48.95 44.29 22.31 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.653 ' H ' ' NE ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -53.51 174.62 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.559 ' O ' ' N ' ' B' ' 24' ' ' THR . 4.6 m-85 -63.67 -179.18 0.35 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 175.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 -59.51 82.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 0.0 108.69 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.757 HG22 ' OE1' ' B' ' 28' ' ' GLN . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.757 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.2 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.504 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NE ' ' A' ' 13' ' ' ARG . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 28' ' ' GLN . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 17' ' ' GLU . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 49' ' ' MET . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.499 ' SD ' ' ND2' ' A' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.498 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' B' ' 49' ' ' MET . 5.3 m120 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 64' ' ' GLY . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' HA2' ' HA3' ' A' ' 64' ' ' GLY . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.406 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 73' ' ' LEU . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.467 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' B' ' 75' ' ' LEU . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 70' ' ' VAL . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.533 HD12 HD22 ' A' ' 73' ' ' LEU . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.578 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.4 mt -61.72 -51.42 68.46 Favored 'General case' 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.52 -52.66 64.62 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.437 ' O ' HD12 ' B' ' 93' ' ' LEU . 0.5 OUTLIER -59.4 -43.08 93.03 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.345 -179.453 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.47 ' CD ' HH22 ' A' ' 95' ' ' ARG . 2.2 mm-40 -63.99 -36.57 84.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.634 -1.291 . . . . 0.0 109.326 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.507 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 57.4 t30 -62.15 -46.61 88.22 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.515 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 1.4 mt-10 -55.02 -53.01 61.31 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 173.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.438 ' C ' HE21 ' B' ' 97' ' ' GLN . 0.3 OUTLIER -54.47 -23.64 16.98 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.801 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' A' ' 94' ' ' HIS . 6.5 t-160 -86.38 -67.59 0.8 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 122.143 0.973 . . . . 0.0 109.857 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.507 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 7.9 mmt180 -50.56 -44.48 56.65 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.529 0.68 . . . . 0.0 110.429 -176.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.593 ' HB2' ' NE2' ' B' ' 97' ' ' GLN . 66.2 mt-30 -50.47 -43.95 55.55 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -105.24 6.3 32.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 111.305 -174.442 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' B' ' 94' ' ' HIS . 2.6 mm-40 -53.28 -86.52 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.38 -0.825 . . . . 0.0 110.567 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' B' ' 99' ' ' ARG . 3.9 mmm180 -95.41 32.6 1.74 Allowed 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.693 -1.255 . . . . 0.0 107.918 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.563 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -74.36 -55.41 2.84 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.656 -0.653 . . . . 0.0 109.513 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -38.58 100.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 0 C-N-CA 123.133 2.555 . . . . 0.0 113.049 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.96 -42.47 80.87 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 137.01 47.63 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.1 50.37 10.12 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -67.87 49.51 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.632 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.84 97.68 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.192 -1.946 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.475 1.247 1 N-CA-C 101.821 -4.512 . . . . 0.0 101.821 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.84 70.2 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.203 -1.175 . . . . 0.0 109.946 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 4.3 mmm -159.23 94.89 1.22 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.87 111.4 22.13 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.38 120.58 21.82 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 8.2 t70 -64.57 -154.75 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.874 0 O-C-N 121.576 -0.955 . . . . 0.0 109.645 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 155.99 153.52 6.62 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 120.676 -1.265 . . . . 0.0 110.167 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 m -134.27 137.84 44.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 0.0 108.703 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.2 mm-40 -74.97 61.11 1.02 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 2.8 p90 -18.26 115.07 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 123.939 0.896 . . . . 0.0 112.219 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -58.49 123.66 16.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.658 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.57 121.38 15.23 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -132.46 66.76 1.55 Allowed 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -67.72 174.77 3.33 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.515 0.674 . . . . 0.0 111.24 -173.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -72.02 55.8 0.3 Allowed 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -37.73 -51.03 1.24 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.866 0.466 . . . . 0.0 111.422 -177.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.7 33.04 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.212 -0.93 . . . . 0.0 110.64 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.514 ' H ' ' C ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -158.67 46.97 0.32 Allowed 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -135.83 166.27 23.68 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 121.166 -0.959 . . . . 0.0 109.369 -178.044 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 2.0 mp0 -137.07 22.99 3.04 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 23' ' ' HIS . 11.0 mmm-85 -83.54 60.13 5.5 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.793 0.806 . . . . 0.0 108.936 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 20' ' ' GLU . 10.2 m-85 -65.71 56.19 0.03 OUTLIER 'General case' 0 C--N 1.254 -3.573 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -140.75 179.33 6.76 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.428 -177.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.737 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.737 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.4 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' B' ' 42' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' B' ' 49' ' ' MET . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 48' ' ' ARG . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' O ' HD21 ' B' ' 63' ' ' LEU . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.425 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.796 ' HA ' HD23 ' B' ' 63' ' ' LEU . 1.3 mt -57.76 42.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -146.18 43.08 0.91 Allowed Glycine 0 C--N 1.277 -2.708 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.94 47.31 0.46 Allowed Glycine 0 N--CA 1.495 2.606 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -138.62 -2.74 1.73 Allowed 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.225 -1.162 . . . . 0.0 108.081 176.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -42.58 -70.11 0.12 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.692 -0.63 . . . . 0.0 109.413 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 67' ' ' ASP . . . -41.22 -34.45 0.48 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.013 -1.055 . . . . 0.0 110.83 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' B' ' 70' ' ' VAL . 1.9 tpt85 -68.1 -46.75 70.1 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 177.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.61 HG22 HG22 ' B' ' 70' ' ' VAL . 27.4 t -52.45 -56.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.64 -46.07 84.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.908 -175.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.63 -40.58 83.75 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 118.413 -1.315 . . . . 0.0 108.483 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD22 HD12 ' B' ' 77' ' ' LEU . 28.5 mt -66.07 -41.74 90.33 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.516 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD13 ' B' ' 73' ' ' LEU . 0.6 OUTLIER -61.54 -45.26 94.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.923 -1.111 . . . . 0.0 108.6 178.078 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' B' ' 77' ' ' LEU . 10.8 tp10 -61.41 -46.73 88.91 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD23 HD12 ' B' ' 80' ' ' LEU . 27.5 mt -57.01 -41.54 78.68 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.521 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 5.3 m-20 -62.17 -42.28 99.12 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -54.44 47.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 80' ' ' LEU . 11.3 mt -57.71 -43.24 85.09 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 121.221 -0.924 . . . . 0.0 109.412 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HE ' ' HA ' ' A' ' 78' ' ' ASP . 1.3 mtp85 -61.69 -37.1 82.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.015 -1.053 . . . . 0.0 108.176 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.61 88.42 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.25 -46.39 70.58 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.09 -50.89 63.49 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.2 tp -54.85 -53.87 49.82 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -57.97 -50.65 72.66 Favored 'General case' 0 C--N 1.29 -1.983 0 O-C-N 121.694 -0.629 . . . . 0.0 109.879 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 19.8 mt -61.89 -50.3 72.76 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 121.686 -0.634 . . . . 0.0 109.807 -177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -62.01 -43.62 98.44 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.211 -0.93 . . . . 0.0 108.871 179.609 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -45.0 90.22 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.852 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.4 mm-40 -64.82 -46.75 80.66 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.925 -1.109 . . . . 0.0 108.34 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.418 ' CG ' ' HD2' ' A' ' 95' ' ' ARG . 42.1 t30 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.6 -46.29 87.31 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.441 -0.787 . . . . 0.0 108.994 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 97' ' ' GLN . 3.1 mt -59.5 -51.04 71.56 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.373 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 1.8 t-160 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.471 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 91' ' ' ASN . 13.8 mtp-105 -71.53 -40.73 69.89 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -85.32 -68.44 0.73 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.315 0.579 . . . . 0.0 110.155 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -151.05 113.6 4.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.749 -0.595 . . . . 0.0 110.132 -175.621 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -170.2 -138.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.512 ' H ' ' CG ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -68.05 62.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.39 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.667 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -129.55 -62.71 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.966 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.667 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.8 Cg_endo -45.84 110.53 0.26 Allowed 'Trans proline' 0 N--CA 1.482 0.798 0 C-N-CA 122.356 2.037 . . . . 0.0 109.738 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 104' ' ' LYS . 31.8 mt 60.33 13.12 3.79 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.55 -0.719 . . . . 0.0 109.503 -176.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER 54.13 -84.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.941 -0.475 . . . . 0.0 109.85 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.9 mtpm? -143.19 29.07 1.48 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 64.51 -58.52 0.23 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.931 -0.481 . . . . 0.0 110.567 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . -62.15 -51.55 55.95 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 108.033 -2.027 . . . . 0.0 108.033 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.176 -2.789 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 175.763 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.481 1.668 1 N-CA-C 102.365 -4.294 . . . . 0.0 102.365 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.14 73.46 0.12 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.934 -1.333 . . . . 0.0 109.134 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.433 ' N ' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmm -162.21 90.98 0.77 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.46 109.63 21.61 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.85 122.9 31.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.2 -163.46 0.09 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.316 -1.108 . . . . 0.0 109.46 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 154.12 9.26 Favored Glycine 0 C--N 1.289 -2.07 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.7 OUTLIER -133.02 131.87 41.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.154 -1.203 . . . . 0.0 108.299 178.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' B' ' 10' ' ' PHE . 1.4 mt-10 -68.55 54.75 0.08 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' B' ' 8' ' ' SER . 1.5 p90 -12.39 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 124.07 0.948 . . . . 0.0 112.183 -178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.83 HD22 ' H ' ' B' ' 11' ' ' LEU . 0.9 OUTLIER -58.53 121.75 11.7 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.09 124.09 21.2 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -133.18 75.55 1.63 Allowed 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.19 177.85 3.08 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.446 -0.783 . . . . 0.0 110.617 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -77.01 52.41 0.87 Allowed 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 18' ' ' THR . 0.1 OUTLIER -35.89 -56.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.082 0.553 . . . . 0.0 111.221 -177.363 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.93 42.8 0.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.106 -0.996 . . . . 0.0 110.268 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.483 ' H ' ' C ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -170.15 41.91 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -134.31 169.3 17.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.381 -176.614 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' HA ' ' CZ ' ' B' ' 22' ' ' TYR . 3.6 mp0 -137.91 22.88 2.85 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' B' ' 23' ' ' HIS . 9.8 mmm180 -82.12 60.66 5.01 Favored 'General case' 0 C--N 1.278 -2.526 0 CA-C-O 122.17 0.986 . . . . 0.0 109.455 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 20' ' ' GLU . 12.5 m-85 -67.89 58.75 0.07 Allowed 'General case' 0 C--N 1.258 -3.408 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.1 OUTLIER -142.1 -164.14 1.74 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.088 -1.008 . . . . 0.0 109.6 -176.093 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.72 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.72 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 48' ' ' ARG . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.456 ' O ' ' OD1' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.7 m120 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 56' ' ' LEU . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' B' ' 61' ' ' LYS . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.528 ' O ' HD21 ' A' ' 63' ' ' LEU . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' B' ' 58' ' ' LEU . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.61 HG22 HG22 ' A' ' 70' ' ' VAL . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.436 ' CD ' HH12 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 80' ' ' LEU . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.448 ' O ' HD12 ' B' ' 88' ' ' LEU . 8.6 m120 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 23.9 mt -64.44 -50.48 67.38 Favored 'General case' 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -61.4 -43.05 99.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.56 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -46.17 82.69 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.691 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' B' ' 93' ' ' LEU . 4.4 mm-40 -64.13 -46.55 83.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.624 -1.297 . . . . 0.0 108.787 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' B' ' 95' ' ' ARG . 38.6 t30 -57.01 -44.17 82.54 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.0 -46.86 84.54 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' B' ' 90' ' ' GLU . 5.9 mt -58.63 -50.42 73.92 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.289 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.596 ' HA ' ' HB3' ' B' ' 98' ' ' GLU . 1.3 t-160 -66.82 -38.99 87.53 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.505 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 95' ' ' ARG . 7.7 mtp180 -67.2 -41.04 86.48 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.405 ' HB3' ' NE2' ' B' ' 97' ' ' GLN . 78.1 mt-30 -85.06 -65.96 0.95 Allowed 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.51 -0.743 . . . . 0.0 110.707 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -153.84 109.81 3.27 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.596 ' HB3' ' HA ' ' B' ' 94' ' ' HIS . 0.6 OUTLIER -169.29 -137.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.559 ' O ' ' NE2' ' B' ' 94' ' ' HIS . 0.7 OUTLIER -69.73 64.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.525 -0.734 . . . . 0.0 109.113 178.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.61 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -132.79 -59.83 0.02 OUTLIER Pre-proline 0 C--N 1.289 -2.049 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.61 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 1.4 Cg_endo -44.92 107.61 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 122.71 2.273 . . . . 0.0 110.71 173.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 104' ' ' LYS . 20.5 mt 59.78 16.86 5.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER 50.62 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.3 mtpm? -138.09 29.95 2.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.755 -1.216 . . . . 0.0 108.096 175.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.44 -62.98 0.17 Allowed 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 121.139 0.495 . . . . 0.0 109.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -58.04 -42.87 95.23 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.191 -2.004 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.259 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 1 N-CA-C 103.028 -4.029 . . . . 0.0 103.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -71.53 -25.15 62.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.028 -1.278 . . . . 0.0 108.724 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.83 70.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.731 -0.605 . . . . 0.0 109.45 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -95.95 165.92 12.03 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.59 124.59 4.92 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.58 -141.78 0.24 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.18 70.95 0.01 OUTLIER Glycine 0 C--N 1.278 -2.643 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -119.36 26.09 9.66 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 121.461 -1.023 . . . . 0.0 108.532 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.73 65.68 0.22 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' SER . 8.4 p90 -57.5 137.53 56.15 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.083 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -69.77 166.1 20.0 Favored 'General case' 0 C--N 1.278 -2.515 0 O-C-N 121.853 -0.529 . . . . 0.0 109.732 -178.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -79.67 166.81 21.44 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -87.26 -167.48 1.9 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.265 -0.897 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.4 t0 51.62 59.94 4.21 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 121.997 0.903 . . . . 0.0 109.159 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.69 54.88 0.25 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' A' ' 18' ' ' THR . 0.1 OUTLIER -76.58 -103.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' ' NE2' ' B' ' 33' ' ' GLN . 2.9 mt-10 36.22 44.21 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.171 -0.955 . . . . 0.0 111.671 175.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -139.32 31.23 2.14 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.808 -1.183 . . . . 0.0 109.322 177.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 33' ' ' GLN . 2.2 m-85 -87.8 168.89 12.54 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 120.889 -1.132 . . . . 0.0 109.683 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.48 38.82 1.88 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HB2' HE22 ' A' ' 28' ' ' GLN . 3.0 mmp_? -86.49 102.89 14.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 24' ' ' THR . 64.7 m-85 -88.43 173.48 8.68 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 22' ' ' TYR . 0.8 OUTLIER 66.59 -56.24 0.4 Allowed 'General case' 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -172.457 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.584 HE22 ' HB2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.744 ' HD3' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.744 HD11 ' HD3' ' A' ' 32' ' ' LYS . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD11 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.757 ' SD ' HD11 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 49' ' ' MET . 2.9 m120 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt -109.96 151.86 26.59 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -125.02 -126.34 3.01 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.33 56.01 0.01 OUTLIER Glycine 0 N--CA 1.504 3.198 0 N-CA-C 106.802 -2.519 . . . . 0.0 106.802 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -117.53 -6.06 11.18 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 121.779 -0.836 . . . . 0.0 109.284 -171.575 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 8.2 t70 -40.37 -37.73 0.71 Allowed 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 121.48 0.657 . . . . 0.0 111.579 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.6 -38.6 62.55 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' NH1' ' OE1' ' A' ' 72' ' ' GLU . 14.9 tpp180 -62.49 -45.58 92.35 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' B' ' 73' ' ' LEU . 61.6 t -50.03 -54.1 9.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -55.92 -43.88 77.78 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.873 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 75' ' ' LEU . 81.7 mt-10 -59.89 -42.4 93.71 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD11 HG13 ' B' ' 70' ' ' VAL . 78.8 mt -68.52 -37.54 80.12 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.65 -45.22 94.99 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.8 mt -60.84 -43.14 98.68 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -62.04 -43.57 98.55 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 178.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 HD12 ' B' ' 80' ' ' LEU . 37.6 mt -63.36 -42.93 98.93 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -42.99 89.7 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -58.99 -56.37 23.11 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.144 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -57.94 -41.15 82.16 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.395 -0.816 . . . . 0.0 108.893 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -62.0 -42.54 99.26 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -57.24 -46.85 82.6 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 176.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -65.56 -47.86 74.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.265 -0.897 . . . . 0.0 108.781 179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -52.89 -49.88 64.99 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.469 -0.769 . . . . 0.0 108.991 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.38 -52.98 62.6 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.426 HE21 ' C ' ' A' ' 82' ' ' ALA . 25.6 mt-30 -58.69 -41.35 86.03 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.407 0.622 . . . . 0.0 110.143 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 24.3 mt -70.94 -50.96 28.97 Favored 'General case' 0 C--N 1.287 -2.127 0 O-C-N 121.068 -1.02 . . . . 0.0 109.657 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -45.49 86.02 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -58.05 -49.13 77.94 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.027 -1.069 . . . . 0.0 108.346 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.4 mt-10 -62.53 -48.73 78.24 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.273 -0.892 . . . . 0.0 109.365 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -51.72 -49.87 61.65 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 95' ' ' ARG . 5.3 mm-40 -60.21 -40.02 88.65 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 121.573 -0.704 . . . . 0.0 110.298 176.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 90' ' ' GLU . 44.7 mt -58.51 -34.24 70.72 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.48 -30.43 23.49 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.311 -1.356 . . . . 0.0 110.212 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 5.0 mtp85 -76.92 -50.64 12.82 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.239 -0.913 . . . . 0.0 109.723 -177.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 98' ' ' GLU . 50.9 mt-30 -56.36 -43.21 78.94 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 1.0 OUTLIER -71.2 11.29 0.45 Allowed 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 96' ' ' GLN . 2.7 mt-10 60.53 -164.46 0.23 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.627 -0.67 . . . . 0.0 112.197 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 55.21 42.99 30.02 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -169.69 -54.1 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 4.9 Cg_exo -35.75 143.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 123.86 3.04 . . . . 0.0 113.354 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 103' ' ' SER . 41.7 mt 63.92 -72.65 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 6.0 m -171.96 116.6 0.37 Allowed 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 37.95 -99.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.495 ' CD2' ' N ' ' A' ' 106' ' ' GLY . 36.1 p90 -167.23 -56.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 175.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.495 ' N ' ' CD2' ' A' ' 105' ' ' PHE . . . 59.61 60.76 8.16 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.182 -2.466 0 O-C-N 121.472 -1.016 . . . . 0.0 108.792 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 1 N-CA-C 102.425 -4.27 . . . . 0.0 102.425 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -76.99 -24.03 52.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.061 -1.258 . . . . 0.0 108.638 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.2 mmt -63.57 79.37 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.665 -0.647 . . . . 0.0 109.717 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -103.38 -179.29 3.91 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.44 123.06 1.73 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 107.907 -2.077 . . . . 0.0 107.907 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 7' ' ' GLY . 17.5 t70 -100.17 -152.24 0.42 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.41 -1.053 . . . . 0.0 108.413 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 6' ' ' ASP . . . 165.85 55.1 0.03 OUTLIER Glycine 0 C--N 1.293 -1.829 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 6.3 m -103.64 28.55 6.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.299 -1.118 . . . . 0.0 109.917 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 15.1 mp0 -70.78 65.52 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.049 -1.032 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -56.76 136.1 55.29 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.491 0.662 . . . . 0.0 110.005 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -67.55 170.29 7.86 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 121.419 0.628 . . . . 0.0 109.579 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -87.66 157.81 19.0 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -73.91 -167.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.664 -0.648 . . . . 0.0 111.186 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 30.0 t0 49.08 62.18 2.74 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 122.022 0.915 . . . . 0.0 110.179 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' HE1' HD13 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -72.71 52.6 0.3 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.691 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -74.4 -98.38 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' SER . 3.5 mt-10 28.06 45.66 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 O-C-N 121.48 -0.762 . . . . 0.0 112.42 175.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 16' ' ' SER . 0.3 OUTLIER -139.53 38.15 2.04 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 176.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 33' ' ' GLN . 1.5 m-85 -94.5 167.53 11.44 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.767 -1.208 . . . . 0.0 109.972 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.26 35.05 1.51 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -81.76 107.28 14.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.604 ' O ' ' N ' ' B' ' 24' ' ' THR . 37.5 m-85 -90.25 175.15 7.23 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 67.44 -57.84 0.43 Allowed 'General case' 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.758 HG22 ' OE1' ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 29' ' ' ASN . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 HG23 ' B' ' 24' ' ' THR . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' B' ' 25' ' ' GLU . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.742 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.57 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.601 HD11 ' HD3' ' B' ' 32' ' ' LYS . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 48' ' ' ARG . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.801 ' SD ' HD11 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.401 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 49' ' ' MET . 2.8 m120 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG2' HD11 ' A' ' 56' ' ' LEU . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.483 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.559 HG13 HD11 ' A' ' 73' ' ' LEU . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' B' ' 75' ' ' LEU . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 70' ' ' VAL . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.403 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 80' ' ' LEU . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 77' ' ' LEU . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.505 ' ND2' HD22 ' A' ' 80' ' ' LEU . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 85' ' ' LEU . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 30.6 mt -61.09 -52.54 64.5 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -48.67 75.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.444 -0.785 . . . . 0.0 109.0 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -43.04 81.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.521 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.56 -46.0 84.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.88 -1.138 . . . . 0.0 109.139 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -56.23 -49.69 73.4 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.453 ' HA ' ' HB2' ' B' ' 95' ' ' ARG . 4.9 mm-40 -57.77 -41.74 82.64 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.656 -0.652 . . . . 0.0 110.231 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.14 -32.56 68.29 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 4.0 t-80 -85.87 -29.88 23.35 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.604 -1.238 . . . . 0.0 109.963 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.562 ' HA ' ' HD3' ' B' ' 101' ' ' PRO . 3.9 mtp85 -78.41 -52.06 9.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -56.6 -34.82 67.57 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.436 ' N ' ' CD ' ' B' ' 97' ' ' GLN . 0.9 OUTLIER -78.72 9.93 3.72 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.491 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.22 -167.21 0.14 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.598 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.36 37.88 19.88 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -165.85 -57.14 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.778 -0.576 . . . . 0.0 109.578 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.562 ' HD3' ' HA ' ' B' ' 95' ' ' ARG . 4.3 Cg_exo -33.08 140.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 123.642 2.895 . . . . 0.0 113.304 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 24.7 mt 65.67 -72.42 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 101' ' ' PRO . 1.9 m -171.25 117.32 0.44 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.36 -95.88 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 120.994 0.426 . . . . 0.0 110.232 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 41.2 p90 -172.5 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 52.66 74.02 0.34 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.193 -1.89 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 1 N-CA-C 102.98 -4.048 . . . . 0.0 102.98 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 106.61 9.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.343 -1.093 . . . . 0.0 108.718 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.5 tpt -150.93 161.76 42.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.828 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.04 158.41 43.0 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.29 74.72 0.6 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' CB ' ' H ' ' B' ' 6' ' ' ASP . 5.8 t0 -85.11 -162.93 0.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.607 -0.937 . . . . 0.0 108.481 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.75 161.01 21.06 Favored Glycine 0 C--N 1.285 -2.293 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.57 179.61 8.06 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.292 -1.123 . . . . 0.0 108.628 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.49 85.5 0.18 Allowed 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -80.56 171.78 14.61 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.62 118.97 23.69 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' A' ' 12' ' ' GLN . 20.8 mp0 -62.83 -50.78 69.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.358 -0.839 . . . . 0.0 108.949 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 52.34 27.73 5.1 Favored 'General case' 0 N--CA 1.513 2.696 0 CA-C-O 122.196 0.998 . . . . 0.0 108.828 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.92 61.77 3.21 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -65.79 162.7 18.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -156.16 80.63 0.99 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.97 135.31 52.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -163.65 166.73 22.01 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -125.41 139.05 53.99 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -135.87 -140.79 0.17 Allowed 'General case' 0 C--N 1.266 -3.024 0 N-CA-C 104.287 -2.486 . . . . 0.0 104.287 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -74.11 -171.78 1.22 Allowed 'General case' 0 C--N 1.252 -3.655 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 171.212 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.27 71.28 0.18 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.4 t-80 -106.59 167.58 9.75 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 -171.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 HG21 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' THR . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.76 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 16' ' ' SER . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.553 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.746 HD13 ' OE1' ' B' ' 28' ' ' GLN . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.465 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.438 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 49' ' ' MET . 4.2 m120 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' B' ' 57' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' B' ' 56' ' ' LEU . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' HE3' ' A' ' 61' ' ' LYS . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.679 ' HA ' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -71.24 55.33 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -131.55 -61.65 0.09 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 107.678 -2.169 . . . . 0.0 107.678 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 34.76 -86.58 0.01 OUTLIER Glycine 0 N--CA 1.515 3.943 0 O-C-N 122.103 -0.645 . . . . 0.0 111.868 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 69' ' ' ARG . 3.6 m-20 -57.73 -8.78 1.0 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.683 -0.893 . . . . 0.0 110.052 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -26.61 6.14 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.97 52.37 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.3 tpt85 -66.07 -46.89 76.12 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' B' ' 70' ' ' VAL . 48.5 t -51.39 -57.66 2.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -56.44 -42.17 77.66 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 75' ' ' LEU . 6.1 mt-10 -61.02 -39.62 90.44 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 ' NH1' ' A' ' 69' ' ' ARG . 63.5 mt -70.15 -39.63 75.25 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' CD ' HH22 ' B' ' 69' ' ' ARG . 1.1 mm-40 -62.09 -40.39 95.67 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 72' ' ' GLU . 12.9 mt -66.53 -44.02 83.61 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' CD ' HH11 ' A' ' 79' ' ' ARG . 30.0 tp10 -62.36 -38.0 87.84 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.391 -0.818 . . . . 0.0 108.843 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 73' ' ' LEU . 24.5 mt -64.37 -43.28 95.0 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 120.843 -1.161 . . . . 0.0 107.925 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 13.2 m-20 -65.27 -35.37 80.81 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.0 ttt180 -58.85 -52.45 65.66 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 175.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 16.7 mt -63.21 -37.33 86.8 Favored 'General case' 0 C--O 1.193 -1.921 0 O-C-N 121.32 -0.862 . . . . 0.0 108.829 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 78' ' ' ASP . 59.5 mtt180 -63.73 -34.62 78.28 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -63.33 -52.89 59.98 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' HB3' HD22 ' B' ' 84' ' ' ASN . 0.0 OUTLIER -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' B' ' 84' ' ' ASN . 25.8 m-80 -50.84 -46.55 60.17 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -53.25 60.44 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -51.41 -44.62 62.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.618 -0.676 . . . . 0.0 109.626 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' B' ' 88' ' ' LEU . 13.6 mt -74.97 -47.71 28.01 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.752 -0.592 . . . . 0.0 110.287 -175.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -46.09 91.72 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.292 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.78 -47.9 76.45 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.709 -1.244 . . . . 0.0 109.793 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.6 -46.41 87.07 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' OE2' ' NE ' ' A' ' 95' ' ' ARG . 13.1 mm-40 -61.52 -38.92 89.15 Favored 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.732 -0.605 . . . . 0.0 109.614 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.47 -46.17 89.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -64.41 -36.02 82.81 Favored 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.097 178.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.421 ' NE ' ' OE2' ' A' ' 92' ' ' GLU . 9.4 mtp85 -84.01 -41.37 17.32 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.347 0.594 . . . . 0.0 111.094 -175.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -68.7 -44.31 74.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.21 -0.931 . . . . 0.0 110.132 -174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -123.34 -156.69 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' OE1' ' NZ ' ' B' ' 104' ' ' LYS . 2.8 tp10 48.66 -94.86 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.546 HH21 ' CD ' ' B' ' 98' ' ' GLU . 16.2 mmm180 -85.57 45.44 1.2 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.103 -0.998 . . . . 0.0 108.604 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.717 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -53.95 -63.65 2.46 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.717 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 10.0 Cg_endo -50.83 118.6 4.33 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.886 2.39 . . . . 0.0 111.404 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.45 -47.25 69.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.4 m -86.13 104.31 15.6 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -68.54 67.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.782 -1.199 . . . . 0.0 109.764 -175.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -53.78 114.08 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.76 50.01 0.02 OUTLIER Glycine 0 C--N 1.276 -2.764 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.183 -2.42 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -173.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 1 N-CA-C 102.999 -4.04 . . . . 0.0 102.999 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.22 6.09 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt -159.52 161.27 35.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.091 -1.005 . . . . 0.0 110.028 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.95 166.88 29.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 63.03 69.0 1.43 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.592 ' H ' ' CB ' ' A' ' 6' ' ' ASP . 5.1 t0 -81.62 -176.0 5.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.956 . . . . 0.0 108.778 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.91 165.35 43.62 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.45 178.54 7.35 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.147 -1.208 . . . . 0.0 108.297 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -68.27 77.85 0.25 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.483 ' O ' ' NE2' ' B' ' 12' ' ' GLN . 36.9 p90 -68.92 171.56 7.85 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -83.69 119.44 24.78 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' B' ' 12' ' ' GLN . 16.3 mp0 -66.12 -45.45 81.08 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.334 -0.854 . . . . 0.0 109.478 -176.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 48.62 31.02 2.74 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.45 57.49 1.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.17 164.85 4.84 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 109.358 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.38 77.39 0.55 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.36 138.01 7.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.476 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -167.59 159.34 12.0 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -121.44 141.41 51.02 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' B' ' 25' ' ' GLU . 13.2 mm-40 -136.41 -142.88 0.18 Allowed 'General case' 0 C--N 1.27 -2.869 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.0 OUTLIER -73.29 -169.22 0.61 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 171.226 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -67.07 63.2 0.05 Allowed 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.611 -1.625 . . . . 0.0 106.611 174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.9 OUTLIER -100.18 172.26 7.29 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 -171.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.465 ' O ' ' C ' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.427 HD13 HG23 ' A' ' 36' ' ' ILE . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.746 ' OE1' HD13 ' A' ' 36' ' ' ILE . 1.7 mm100 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.76 HD13 ' OE1' ' A' ' 28' ' ' GLN . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.457 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' B' ' 49' ' ' MET . 4.4 m120 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 57' ' ' ARG . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' A' ' 56' ' ' LEU . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 70' ' ' VAL . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 70' ' ' VAL . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.503 ' CD ' HH22 ' A' ' 69' ' ' ARG . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 72' ' ' GLU . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HB3' HD21 ' A' ' 77' ' ' LEU . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 80' ' ' LEU . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.531 HD22 ' HB3' ' A' ' 83' ' ' GLU . 5.9 m120 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 17.3 mt -77.91 -48.4 16.44 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.82 -46.71 86.69 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -47.04 81.2 Favored 'General case' 0 C--N 1.287 -2.114 0 O-C-N 121.234 -0.917 . . . . 0.0 108.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.69 -50.46 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.062 -1.024 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -54.05 -49.05 69.87 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.02 -36.63 82.15 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 121.464 -0.773 . . . . 0.0 109.962 176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.506 ' C ' ' ND1' ' B' ' 94' ' ' HIS . 0.0 OUTLIER -63.51 -36.31 83.36 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.119 178.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -85.18 -37.18 20.45 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 111.767 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -71.84 -45.51 61.17 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ARG . 0.2 OUTLIER -122.02 -154.57 0.6 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' A' ' 99' ' ' ARG . 1.2 tp10 46.5 -97.1 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' B' ' 98' ' ' GLU . 14.8 mmm180 -82.9 47.46 1.22 Allowed 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 108.671 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.726 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -56.81 -64.46 2.47 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.726 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 8.5 Cg_endo -50.19 121.01 6.91 Favored 'Trans proline' 0 C--N 1.327 -0.587 0 C-N-CA 122.761 2.307 . . . . 0.0 110.907 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -51.81 66.1 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.8 OUTLIER -79.91 101.27 8.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 175.589 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.473 ' NZ ' ' OE1' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.31 74.12 0.14 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.695 -176.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -63.37 87.85 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.287 -0.883 . . . . 0.0 109.517 -179.366 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.07 18.89 0.23 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 107.742 -2.143 . . . . 0.0 107.742 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.191 -2.005 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 1 N-CA-C 102.775 -4.13 . . . . 0.0 102.775 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.26 156.19 30.25 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 3' ' ' MET . 3.6 mpp? -74.68 166.58 23.34 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.62 172.05 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.402 -0.811 . . . . 0.0 109.678 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 14.5 26.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.95 -172.14 0.99 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.099 -1.236 . . . . 0.0 109.041 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 125.11 2.44 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.74 111.97 22.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.303 -1.116 . . . . 0.0 109.418 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.19 115.51 21.32 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -91.79 148.67 22.06 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.541 -0.725 . . . . 0.0 109.422 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.71 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.31 162.46 35.65 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.9 mt-30 -107.27 138.65 43.06 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 109.1 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -94.15 62.28 3.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.45 -176.56 0.24 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.544 -0.723 . . . . 0.0 109.234 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -49.86 105.73 0.1 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.61 86.98 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mt-10 55.26 -171.01 0.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.12 0.962 . . . . 0.0 111.412 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.67 177.27 4.9 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' ARG . 62.3 m-85 -87.51 -177.76 5.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 2.3 pm0 -66.35 50.65 0.04 OUTLIER 'General case' 0 C--N 1.282 -2.329 0 O-C-N 121.754 -0.592 . . . . 0.0 110.839 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' TYR . 22.7 mmt180 -58.91 118.73 6.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -34.17 141.21 0.05 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 122.944 0.498 . . . . 0.0 111.164 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 70.57 -56.7 0.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.716 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' HG23 ' B' ' 36' ' ' ILE . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.716 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.719 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 32' ' ' LYS . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.605 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.679 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' MET . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.605 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.622 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' B' ' 66' ' ' ASP . 10.6 mt -124.93 104.63 8.69 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -100.09 149.76 18.81 Favored Glycine 0 N--CA 1.493 2.455 0 O-C-N 120.901 -1.125 . . . . 0.0 111.071 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 66' ' ' ASP . . . 63.76 -90.16 0.08 OUTLIER Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.769 ' HB2' HD23 ' B' ' 63' ' ' LEU . 3.0 t70 133.39 161.92 0.0 OUTLIER 'General case' 0 N--CA 1.529 3.498 0 C-N-CA 124.913 1.285 . . . . 0.0 108.701 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 10.1 t70 -52.69 -13.34 0.39 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 123.214 0.606 . . . . 0.0 110.502 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.65 15.87 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.791 -1.193 . . . . 0.0 107.944 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.546 HH21 ' CD ' ' A' ' 72' ' ' GLU . 2.2 tpm_? -59.92 -41.37 91.57 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 176.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.27 -55.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -56.34 -37.05 69.46 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.934 -0.479 . . . . 0.0 109.951 -179.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 mt-10 -59.17 -48.23 82.38 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.003 -1.06 . . . . 0.0 108.172 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.84 -36.39 83.33 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.7 -46.74 86.64 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.7 mt -61.24 -46.41 90.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 108.977 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.49 -41.88 95.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' HG ' ' B' ' 77' ' ' LEU . 17.6 mt -60.36 -51.45 69.45 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.523 ' HA ' ' HD3' ' A' ' 81' ' ' ARG . 77.3 m-20 -59.52 -34.1 72.2 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -61.07 -52.22 65.87 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 176.471 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' B' ' 84' ' ' ASN . 13.5 mt -60.2 -38.12 82.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.492 -0.755 . . . . 0.0 109.24 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HD3' ' HA ' ' A' ' 78' ' ' ASP . 28.7 mtp180 -62.26 -34.5 76.66 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.75 -50.23 74.64 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 4.4 mt-10 -65.14 -50.12 67.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -49.43 -48.74 47.16 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.93 -52.91 62.47 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -49.6 70.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.633 -0.667 . . . . 0.0 109.467 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.4 mt -70.03 -49.6 49.66 Favored 'General case' 0 C--N 1.28 -2.435 0 O-C-N 121.513 -0.742 . . . . 0.0 110.365 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -46.94 79.82 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.112 -0.993 . . . . 0.0 109.221 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -42.31 74.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.842 -1.161 . . . . 0.0 108.089 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.48 -30.47 70.18 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.04 -47.49 74.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.72 -47.32 73.9 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 174.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 93' ' ' LEU . 68.7 mt -58.75 -58.97 6.25 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.468 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.555 ' HE2' ' CD ' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -50.25 -40.15 47.0 Favored 'General case' 0 C--N 1.259 -3.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.902 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -43.88 31.67 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.27 -53.14 15.32 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.59 122.7 1.73 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.603 ' CD ' ' HE2' ' B' ' 94' ' ' HIS . 1.8 tm-20 -69.24 -165.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 43.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.387 -0.821 . . . . 0.0 109.429 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -66.76 -60.37 6.48 Favored Pre-proline 0 C--N 1.301 -1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.281 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.627 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 10.5 Cg_endo -52.04 47.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 124.025 3.15 . . . . 0.0 113.751 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 100' ' ' ALA . 9.5 mt -139.56 138.88 36.64 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -46.45 38.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -119.81 77.75 1.26 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.813 -0.554 . . . . 0.0 109.522 -178.208 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 106' ' ' GLY . 26.8 t80 -63.89 171.12 2.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 105' ' ' PHE . . . -87.95 60.54 4.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.506 2.364 0 O-C-N 121.593 -0.946 . . . . 0.0 109.405 178.645 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.886 1 N-CA-C 102.45 -4.26 . . . . 0.0 102.45 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.35 161.84 41.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' B' ' 3' ' ' MET . 3.9 mpp? -73.67 161.83 29.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 155.62 8.47 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.63 -0.669 . . . . 0.0 109.497 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.95 17.73 75.69 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 177.1 7.86 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.017 -1.284 . . . . 0.0 108.858 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.93 134.37 2.11 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.14 112.16 17.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.522 -0.987 . . . . 0.0 108.895 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -83.15 125.11 31.17 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -100.26 146.18 27.21 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.731 HD22 ' N ' ' B' ' 12' ' ' GLN . 0.0 OUTLIER -138.81 173.48 11.53 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.412 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.731 ' N ' HD22 ' B' ' 11' ' ' LEU . 13.7 mt-30 -116.52 136.57 52.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.144 -0.973 . . . . 0.0 109.673 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -96.97 60.74 1.75 Allowed 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -165.3 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.641 -0.662 . . . . 0.0 110.367 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -56.12 99.57 0.03 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.486 -0.759 . . . . 0.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.92 91.87 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.486 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 mt-10 55.28 -173.24 0.05 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.747 0.784 . . . . 0.0 111.475 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 174.04 6.04 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' B' ' 21' ' ' ARG . 60.5 m-85 -83.3 -179.54 7.41 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.597 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 2.1 pm0 -64.92 52.34 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.379 0.609 . . . . 0.0 110.867 -177.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' B' ' 19' ' ' TYR . 22.7 mmt180 -59.94 119.25 7.38 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -33.98 139.07 0.07 Allowed 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.231 0.538 . . . . 0.0 110.921 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 70.47 -53.98 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.66 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' HB3' HG23 ' A' ' 36' ' ' ILE . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.696 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' B' ' 32' ' ' LYS . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.62 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.622 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.635 HD21 ' NH2' ' B' ' 57' ' ' ARG . 3.5 m120 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.62 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.679 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 66' ' ' ASP . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.61 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.452 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' B' ' 75' ' ' LEU . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.421 HD22 HD12 ' A' ' 77' ' ' LEU . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.471 ' ND2' HD22 ' A' ' 80' ' ' LEU . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.7 mt -68.41 -50.69 51.02 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -46.86 83.07 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 109.45 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -44.0 75.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.44 -32.27 73.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.068 -1.02 . . . . 0.0 108.463 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -63.04 -47.92 80.95 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.51 -47.83 75.61 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 93' ' ' LEU . 82.6 mt -58.79 -58.33 9.09 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.401 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.603 ' HE2' ' CD ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -50.76 -38.3 47.02 Favored 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.292 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -48.24 19.82 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -70.77 -45.36 64.87 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 0.1 OUTLIER -171.62 120.16 0.47 Allowed 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.555 ' CD ' ' HE2' ' A' ' 94' ' ' HIS . 2.0 tm-20 -68.26 -167.34 0.08 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 43.67 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.077 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.621 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -65.47 -60.64 7.2 Favored Pre-proline 0 C--N 1.303 -1.427 0 O-C-N 121.002 -1.061 . . . . 0.0 108.968 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 10.6 Cg_endo -52.4 48.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 123.767 2.978 . . . . 0.0 113.614 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.597 ' N ' ' O ' ' B' ' 100' ' ' ALA . 7.0 mt -143.9 122.87 12.78 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -42.71 97.06 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-O 121.34 0.59 . . . . 0.0 109.738 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.5 OUTLIER -119.63 75.52 1.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.336 -0.853 . . . . 0.0 109.434 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 29.7 t80 -63.4 169.56 3.64 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.575 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . -88.49 64.68 3.46 Favored Glycine 0 C--N 1.287 -2.155 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.671 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 1 N-CA-C 102.923 -4.071 . . . . 0.0 102.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.48 95.05 2.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.07 -44.7 88.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.646 -0.659 . . . . 0.0 110.13 -177.013 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' ASP . . . 64.34 -57.44 0.24 Allowed 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -73.2 54.87 1.88 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' ALA . 5.9 m-20 -86.8 9.21 19.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.359 -1.083 . . . . 0.0 109.144 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -72.82 56.96 1.75 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.7 38.59 0.05 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -1.184 . . . . 0.0 110.09 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.8 mt-10 -55.27 149.06 13.39 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -86.27 152.27 22.92 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -115.82 137.3 52.23 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.05 -63.63 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.55 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER 52.72 30.17 8.49 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -178.338 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.23 15.91 4.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' C ' ' HG1' ' A' ' 18' ' ' THR . 5.0 m-85 -46.56 -30.16 2.13 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.174 -0.954 . . . . 0.0 109.649 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER 17.01 -100.25 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.625 ' HB2' HE22 ' A' ' 28' ' ' GLN . 14.1 mm-40 -71.66 39.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.666 -1.272 . . . . 0.0 111.708 -176.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.543 ' HG1' ' C ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -75.38 53.47 0.67 Allowed 'General case' 0 C--N 1.286 -2.185 0 O-C-N 120.746 -1.221 . . . . 0.0 107.993 176.266 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 21' ' ' ARG . 54.2 m-85 -81.97 170.43 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.29 36.44 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.21 -0.931 . . . . 0.0 111.067 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -121.18 57.59 0.99 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 173.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' HIS . 89.3 m-85 -38.25 -32.75 0.07 Allowed 'General case' 0 C--N 1.266 -3.062 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.866 -173.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' TYR . 86.1 m-70 -47.42 -37.38 11.38 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' OE1' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LEU . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.625 HE22 ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.6 HD13 ' OE1' ' B' ' 28' ' ' GLN . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' B' ' 42' ' ' LEU . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.723 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.1 m120 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' B' ' 57' ' ' ARG . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.763 ' CB ' HD13 ' B' ' 63' ' ' LEU . 12.7 mt -130.11 161.94 29.94 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' O ' HD21 ' B' ' 63' ' ' LEU . . . -149.03 -100.19 0.22 Allowed Glycine 1 N--CA 1.517 4.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.634 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.45 134.67 16.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 104.921 -3.272 . . . . 0.0 104.921 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASP . 9.8 p-10 -75.85 171.66 14.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 118.4 1.1 . . . . 0.0 110.116 -174.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ALA . 0.7 OUTLIER -40.06 -60.57 1.01 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.037 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' ASP . . . -36.15 -40.71 0.23 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.526 -0.734 . . . . 0.0 109.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -53.31 44.32 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 70' ' ' VAL . 12.1 t -54.19 -60.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 122.045 0.926 . . . . 0.0 108.953 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.608 HH21 ' CD ' ' A' ' 74' ' ' GLU . 2.2 tpm_? -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.425 -175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.17 -42.44 98.57 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.069 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 77' ' ' LEU . 36.6 mt -66.69 -39.69 88.21 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CD ' HH21 ' A' ' 71' ' ' ARG . 43.5 mt-10 -59.42 -51.39 70.1 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 120.952 -1.093 . . . . 0.0 108.193 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.84 -39.75 82.19 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' B' ' 77' ' ' LEU . 1.0 OUTLIER -62.17 -48.04 81.81 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 176.58 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 80' ' ' LEU . 29.6 mt -59.79 -39.18 84.06 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -59.41 -42.6 92.15 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.89 -54.12 43.64 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 11.8 mt -56.66 -44.16 81.07 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.613 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -61.41 -38.86 88.63 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.12 90.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.9 -49.97 70.56 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' B' ' 83' ' ' GLU . 6.1 m120 -52.03 -48.75 64.4 Favored 'General case' 0 C--O 1.19 -2.028 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -55.4 -57.3 12.44 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.463 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 14.5 mm100 -52.95 -46.53 68.22 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-O 121.442 0.639 . . . . 0.0 110.511 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 4.5 mt -75.86 -55.23 5.83 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.995 -1.066 . . . . 0.0 110.501 -176.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.7 -51.93 67.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 108.788 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -53.29 -43.35 67.46 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.637 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -37.0 84.0 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.8 t-20 -57.42 -49.27 76.78 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -58.86 -46.6 87.36 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.62 -28.65 65.84 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.221 -0.924 . . . . 0.0 109.131 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -84.63 -44.97 12.97 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.695 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.469 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 6.6 mtt180 -66.48 -56.36 11.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.806 0.813 . . . . 0.0 110.224 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -52.72 -26.92 15.5 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.446 -0.784 . . . . 0.0 109.117 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -92.76 13.83 19.05 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.689 -0.632 . . . . 0.0 109.701 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -72.06 162.13 29.9 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.977 -1.077 . . . . 0.0 108.352 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 43.56 35.64 1.02 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.827 -0.545 . . . . 0.0 109.696 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.701 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -116.2 -65.49 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 109.588 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.701 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 9.7 Cg_endo -49.98 45.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.131 3.221 . . . . 0.0 114.667 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 100' ' ' ALA . 4.6 mm? -101.21 52.13 0.84 Allowed 'General case' 0 C--N 1.279 -2.487 0 O-C-N 121.007 -1.058 . . . . 0.0 108.742 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -63.0 1.14 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.82 -1.175 . . . . 0.0 108.488 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.45 114.63 26.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.73 91.7 2.41 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.38 -139.34 0.91 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.5 2.068 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 1 N-CA-C 102.771 -4.131 . . . . 0.0 102.771 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.94 101.04 4.08 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 5' ' ' GLY . 1.5 mmm -69.86 -49.95 47.34 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.74 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' B' ' 6' ' ' ASP . . . 64.69 -53.91 0.29 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -73.9 40.88 1.02 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' B' ' 8' ' ' SER . 7.4 m-20 -73.03 2.73 6.44 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.602 -0.94 . . . . 0.0 111.164 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' GLU . . . -66.38 55.36 0.19 Allowed Glycine 0 N--CA 1.497 2.762 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.531 ' N ' ' O ' ' B' ' 6' ' ' ASP . 0.7 OUTLIER -71.93 43.44 0.1 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.299 . . . . 0.0 109.176 178.387 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' GLY . 4.9 mt-10 -62.84 155.83 25.81 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -93.92 144.4 25.48 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.522 ' N ' HD12 ' B' ' 11' ' ' LEU . 6.1 mp -111.84 126.23 54.86 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -51.68 -66.89 0.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.027 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 55.39 32.81 19.57 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.04 11.08 12.43 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.002 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.515 ' C ' ' HG1' ' B' ' 18' ' ' THR . 5.9 m-85 -41.74 -35.93 0.89 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.45 ' C ' ' O ' ' B' ' 15' ' ' PHE . 0.8 OUTLIER 21.05 -103.45 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.613 ' HB2' HE22 ' B' ' 28' ' ' GLN . 21.4 mm-40 -66.24 39.76 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.969 -1.082 . . . . 0.0 111.606 -176.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.515 ' HG1' ' C ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -74.13 51.54 0.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.737 -1.227 . . . . 0.0 108.212 176.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 21' ' ' ARG . 55.4 m-85 -81.19 175.39 10.67 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.01 32.06 0.07 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.657 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -114.67 61.1 0.68 Allowed 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 174.334 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -40.82 -31.06 0.14 Allowed 'General case' 0 C--N 1.259 -3.342 0 CA-C-N 113.161 -1.836 . . . . 0.0 111.696 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -47.87 -38.53 16.42 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.431 HG22 ' OE1' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.482 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.613 HE22 ' HB2' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.513 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.739 ' HA ' HD12 ' B' ' 35' ' ' LEU . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' B' ' 32' ' ' LYS . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.615 HD13 ' OE1' ' A' ' 28' ' ' GLN . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 42' ' ' LEU . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.723 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.559 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.3 m120 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.517 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 63' ' ' LEU . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.763 HD13 ' CB ' ' A' ' 63' ' ' LEU . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.468 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.583 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.583 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 80' ' ' LEU . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 84' ' ' ASN . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.52 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 5.7 mt -77.14 -56.62 4.42 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -49.73 74.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.313 -0.867 . . . . 0.0 108.931 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.9 -45.1 78.75 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -37.14 85.08 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.055 -1.028 . . . . 0.0 109.228 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.504 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 7.5 t-20 -59.84 -47.72 84.59 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.15 -45.88 89.82 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 93' ' ' LEU . 84.2 mt -58.83 -29.56 67.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.447 -0.783 . . . . 0.0 109.237 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -83.64 -44.09 14.92 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.789 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.504 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt180 -66.61 -57.24 7.62 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.867 0.842 . . . . 0.0 110.257 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -53.72 -29.04 37.56 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.198 -0.939 . . . . 0.0 108.862 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -90.11 14.23 12.96 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.37 158.92 29.85 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.831 -1.168 . . . . 0.0 107.973 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 47.66 36.98 6.1 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.675 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -114.59 -67.35 0.03 OUTLIER Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.417 -0.802 . . . . 0.0 110.432 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.675 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 9.8 Cg_endo -48.5 39.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.514 2.708 0 C-N-CA 124.496 3.464 . . . . 0.0 115.7 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' B' ' 100' ' ' ALA . 4.5 mm? -91.1 52.92 2.23 Favored 'General case' 0 C--N 1.273 -2.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.367 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -62.58 1.37 Allowed 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -95.78 112.76 24.41 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.18 91.5 0.71 Allowed 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.449 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.16 -134.82 2.8 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.5 2.033 0 CA-C-N 117.831 0.816 . . . . 0.0 109.499 178.797 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 1 N-CA-C 102.975 -4.05 . . . . 0.0 102.975 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' MET . . . 52.62 55.75 8.61 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.872 . . . . 0.0 108.686 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' ALA . 71.1 mtp -41.95 -58.91 1.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 6' ' ' ASP . . . -100.12 111.08 23.36 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.76 71.55 0.27 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 107.238 -2.345 . . . . 0.0 107.238 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' ALA . 9.8 t70 -42.44 112.99 0.4 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 122.049 -0.677 . . . . 0.0 110.431 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 -7.9 88.08 Favored Glycine 0 C--N 1.287 -2.184 0 N-CA-C 107.111 -2.396 . . . . 0.0 107.111 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 -174.57 0.13 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -108.6 119.08 38.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.293 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -78.8 175.15 10.75 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.446 0.641 . . . . 0.0 109.465 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -128.28 166.47 18.55 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 HE22 ' CB ' ' B' ' 31' ' ' SER . 0.1 OUTLIER -53.81 126.23 21.43 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.247 -0.981 . . . . 0.0 108.392 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.69 18.56 21.71 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.558 -0.714 . . . . 0.0 109.774 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' SER . 12.8 p-10 -78.73 50.46 0.99 Allowed 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -61.76 65.65 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.934 0.873 . . . . 0.0 109.146 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -91.56 53.43 2.26 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' HE2' ' B' ' 37' ' ' LYS . 3.5 mm-40 -63.17 90.53 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.617 -0.677 . . . . 0.0 109.669 -175.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 p -72.55 58.37 0.42 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.634 -0.666 . . . . 0.0 109.221 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.7 157.15 28.98 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.925 -1.109 . . . . 0.0 108.97 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 37.9 mt-10 -132.68 81.47 1.95 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 121.685 0.755 . . . . 0.0 109.026 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.535 ' HA ' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -142.88 113.63 7.51 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.168 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' THR . 2.8 m-85 -46.86 -52.65 13.86 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.415 -0.914 . . . . 0.0 108.763 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 -36.98 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 122.747 0.419 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.754 ' OE1' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.51 ' CB ' HE22 ' B' ' 12' ' ' GLN . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD13 ' OE1' ' B' ' 28' ' ' GLN . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' MET . 4.1 m120 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.05 HD21 ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.98 ' HE ' HD21 ' B' ' 56' ' ' LEU . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt -120.92 165.75 14.78 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -147.63 -156.29 6.95 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 107.389 -2.284 . . . . 0.0 107.389 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.9 96.09 0.15 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -169.12 -1.1 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.606 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 8.6 p-10 -47.54 -37.79 12.87 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.484 -0.76 . . . . 0.0 110.419 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.92 65.0 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -59.77 -43.94 94.11 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' B' ' 66' ' ' ASP . 80.5 t -49.93 -55.85 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 8.3 ttm180 -54.99 -45.1 74.99 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.96 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 75' ' ' LEU . 13.9 mt-10 -59.32 -42.42 91.38 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' B' ' 70' ' ' VAL . 78.9 mt -67.44 -37.95 83.79 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.188 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.57 -44.77 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -0.988 . . . . 0.0 108.516 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.0 mt -60.39 -43.0 97.06 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' CD ' HH22 ' A' ' 79' ' ' ARG . 31.6 tp10 -59.86 -48.41 81.79 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' CD1' HD22 ' B' ' 73' ' ' LEU . 22.1 mt -55.19 -49.79 71.02 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.16 -35.17 76.39 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.77 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.495 HH22 ' CD ' ' A' ' 76' ' ' GLU . 2.4 ttp85 -62.59 -53.12 59.41 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 80' ' ' LEU . 9.7 mt -55.37 -43.35 75.02 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.73 -34.39 74.34 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -62.08 -40.58 96.31 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.646 ' HB2' HD22 ' B' ' 84' ' ' ASN . 28.1 mm-40 -70.54 -51.76 26.41 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -48.35 -51.46 26.2 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.35 -56.41 20.4 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.32 -39.56 72.98 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.0 mt -78.1 -51.15 10.72 Favored 'General case' 0 C--N 1.288 -2.109 0 O-C-N 121.042 -1.036 . . . . 0.0 109.712 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -58.15 -51.2 70.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.093 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.319 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -43.75 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.939 -1.1 . . . . 0.0 108.847 176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 5.7 t-20 -58.27 -47.72 82.72 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.09 -42.12 89.71 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.394 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD23 ' NE2' ' A' ' 97' ' ' GLN . 18.2 mt -61.42 -26.02 67.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.646 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -85.73 -24.55 26.89 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.148 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.528 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.3 mmp_? -86.31 -40.11 15.82 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.198 -0.939 . . . . 0.0 111.279 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -85.29 -48.24 9.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -168.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 16.6 mp0 -62.28 -152.72 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 27.3 mt-10 -53.3 -109.83 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.786 0 O-C-N 121.049 -1.032 . . . . 0.0 112.562 -173.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' NH1' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -70.79 78.6 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 94' ' ' HIS . . . -142.34 -62.3 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.659 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.642 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.7 Cg_exo -40.22 144.69 0.38 Allowed 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 123.494 2.796 . . . . 0.0 111.533 176.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.0 mt 59.59 -152.02 0.4 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -169.7 -165.84 0.53 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.96 42.03 30.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.605 -0.685 . . . . 0.0 109.653 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.58 -40.31 82.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 105.547 -2.019 . . . . 0.0 105.547 176.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.07 -175.08 20.81 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 106.278 -2.729 . . . . 0.0 106.278 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.178 -2.701 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 1 N-CA-C 102.92 -4.072 . . . . 0.0 102.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.92 57.78 6.17 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.315 -1.109 . . . . 0.0 109.761 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtp -44.23 -48.13 9.34 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . -109.89 112.23 24.13 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.72 67.84 1.03 Allowed Glycine 0 C--N 1.287 -2.164 0 N-CA-C 107.134 -2.387 . . . . 0.0 107.134 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 8' ' ' SER . 1.6 t70 -45.1 123.7 4.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.939 -0.742 . . . . 0.0 109.715 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 2.49 79.36 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 107.39 -2.284 . . . . 0.0 107.39 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' B' ' 6' ' ' ASP . 3.5 m 55.76 -170.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -113.35 107.6 16.09 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.818 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -66.01 176.36 1.7 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.772 0.796 . . . . 0.0 109.995 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.04 165.37 22.34 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.51 HE22 ' CB ' ' A' ' 31' ' ' SER . 1.1 mp0 -46.19 138.04 5.67 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.44 ' HE ' ' HB3' ' B' ' 13' ' ' ARG . 23.5 mtp180 -117.99 22.38 12.28 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.466 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 16' ' ' SER . 17.7 p-10 -88.17 57.8 4.46 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -69.56 52.71 0.11 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.739 0.781 . . . . 0.0 108.975 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.443 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.6 OUTLIER -76.99 60.18 1.77 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.731 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.515 ' OE1' ' NZ ' ' A' ' 37' ' ' LYS . 3.9 mm-40 -66.91 89.94 0.17 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.011 -1.056 . . . . 0.0 109.257 -175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -69.24 59.4 0.11 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.637 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.416 ' CD2' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -162.88 160.95 25.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.385 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.481 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 24.4 mt-10 -135.43 83.67 2.04 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -142.62 114.96 8.42 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' B' ' 25' ' ' GLU . 2.7 m-85 -49.48 -52.86 26.5 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 120.851 -1.156 . . . . 0.0 108.569 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 -36.65 -29.85 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 122.699 0.399 . . . . 0.0 111.262 178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.484 ' HA ' HD12 ' B' ' 27' ' ' LEU . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.461 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' B' ' 24' ' ' THR . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.577 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 25' ' ' GLU . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.458 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.414 ' CB ' HE22 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.568 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 32' ' ' LYS . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.754 HD13 ' OE1' ' A' ' 28' ' ' GLN . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.98 HD21 ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 1.05 ' HE ' HD21 ' A' ' 56' ' ' LEU . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.66 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 66' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 70' ' ' VAL . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.486 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.51 ' CD1' HD22 ' A' ' 73' ' ' LEU . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' B' ' 80' ' ' LEU . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.646 HD22 ' HB2' ' A' ' 83' ' ' GLU . 7.4 m120 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.8 mt -72.74 -51.11 20.51 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -51.75 68.58 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -42.7 73.38 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.065 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.68 -42.29 98.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.09 -1.007 . . . . 0.0 109.496 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.597 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -61.72 -46.49 89.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.97 -42.18 89.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.467 -0.771 . . . . 0.0 110.23 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.417 HD23 ' NE2' ' B' ' 97' ' ' GLN . 15.6 mt -60.25 -25.96 66.07 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.576 ' O ' ' HB1' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -85.7 -27.04 25.56 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.597 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 2.0 mmp_? -86.25 -39.14 16.87 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.093 -1.004 . . . . 0.0 111.829 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -85.6 -49.29 8.13 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -169.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.609 ' N ' ' OE1' ' B' ' 97' ' ' GLN . 15.3 mp0 -58.72 -152.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -167.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.572 ' HB3' ' NH1' ' B' ' 99' ' ' ARG . 13.4 mt-10 -56.89 -103.81 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.951 0 O-C-N 120.662 -1.274 . . . . 0.0 112.367 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.572 ' NH1' ' HB3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -71.52 69.24 0.6 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.645 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -133.44 -63.01 0.02 OUTLIER Pre-proline 0 C--N 1.288 -2.088 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.362 -174.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.645 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 6.0 Cg_exo -38.43 141.27 0.31 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 123.742 2.961 . . . . 0.0 112.01 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt 60.25 -157.33 0.33 Allowed 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.8 m -165.63 -175.62 3.57 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 45.98 20.33 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.587 -0.696 . . . . 0.0 109.684 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -58.57 -38.45 77.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.89 -178.6 20.04 Favored Glycine 0 C--N 1.295 -1.721 0 N-CA-C 106.105 -2.798 . . . . 0.0 106.105 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.189 -2.095 0 O-C-N 121.021 -1.282 . . . . 0.0 109.269 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 103.258 -3.937 . . . . 0.0 103.258 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 163.92 27.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.799 -1.412 . . . . 0.0 108.356 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 4' ' ' ALA . 0.4 OUTLIER -115.35 141.71 47.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' SD ' ' A' ' 3' ' ' MET . . . -146.35 142.61 28.41 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 70.81 0.01 OUTLIER Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -53.35 -55.63 23.26 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.421 -1.046 . . . . 0.0 108.943 -179.176 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -106.42 0.22 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 1.4 m 56.03 -148.35 0.49 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.227 -1.161 . . . . 0.0 108.756 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.53 139.84 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -109.39 121.83 46.04 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.26 116.93 13.28 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 166.81 22.31 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -155.64 58.13 0.62 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.264 -0.898 . . . . 0.0 110.325 -178.079 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.99 48.2 0.09 Allowed 'General case' 0 N--CA 1.514 2.775 0 O-C-N 121.114 -0.992 . . . . 0.0 108.398 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ARG . 25.3 m-85 -88.97 175.46 7.41 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.032 -1.042 . . . . 0.0 109.697 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 18' ' ' THR . 5.2 t -172.76 86.76 0.07 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.7 38.37 0.05 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 16' ' ' SER . 1.8 p -94.44 66.21 3.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -113.24 142.51 45.73 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.183 0.992 . . . . 0.0 111.355 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.81 51.69 0.18 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HD2' HG21 ' A' ' 24' ' ' THR . 10.0 mmt180 -97.66 154.19 17.73 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 121.33 -0.856 . . . . 0.0 110.44 -170.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' THR . 30.1 m-85 -142.54 -114.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.41 -9.57 1.65 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.969 -1.082 . . . . 0.0 108.096 173.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.811 ' HB ' HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.811 HE22 ' HB ' ' A' ' 24' ' ' THR . 0.9 OUTLIER -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.517 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' NH2' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.676 HD13 ' HG3' ' B' ' 28' ' ' GLN . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD12 ' HE2' ' A' ' 37' ' ' LYS . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 46' ' ' LEU . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.431 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' HB2' ' B' ' 52' ' ' GLU . 4.3 m120 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.573 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' B' ' 56' ' ' LEU . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' ASN . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt -120.57 137.2 54.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -127.41 153.11 19.02 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.54 32.44 2.11 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' HB3' ' CG2' ' B' ' 70' ' ' VAL . 1.2 m-20 -75.77 -13.34 60.29 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.267 -1.137 . . . . 0.0 109.803 -175.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -42.12 -40.9 2.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.984 -0.447 . . . . 0.0 110.925 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.07 -33.42 59.56 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.087 -1.008 . . . . 0.0 108.392 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -58.42 -45.35 88.61 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 176.207 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG13 HD11 ' B' ' 73' ' ' LEU . 13.0 t -52.19 -57.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' CZ ' ' CB ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.86 -41.63 98.08 Favored 'General case' 0 C--N 1.283 -2.296 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.525 -175.251 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 75' ' ' LEU . 30.5 mt-10 -63.22 -41.51 99.14 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.384 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD11 HG13 ' B' ' 70' ' ' VAL . 87.2 mt -64.36 -42.77 96.03 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.938 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.54 -35.73 78.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.017 -1.052 . . . . 0.0 109.038 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.2 mt -65.13 -46.35 81.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' CD ' HH21 ' A' ' 79' ' ' ARG . 3.1 tp10 -65.44 -35.02 79.68 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 80' ' ' LEU . 18.0 mt -62.57 -55.72 24.62 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.008 -1.057 . . . . 0.0 108.357 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.82 -40.96 66.86 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.573 HH21 ' CD ' ' A' ' 76' ' ' GLU . 5.9 tmm_? -55.23 -52.88 61.96 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD22 ' OD1' ' B' ' 84' ' ' ASN . 19.0 mt -63.06 -46.39 87.71 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.674 HH11 HD11 ' B' ' 80' ' ' LEU . 0.2 OUTLIER -57.71 -36.6 72.21 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -60.0 -52.12 66.75 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 1.7 mt-10 -63.14 -47.52 82.37 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.465 -0.772 . . . . 0.0 109.492 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.628 ' OD1' HD22 ' B' ' 80' ' ' LEU . 6.9 m120 -49.16 -53.26 21.81 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD12 ' HB ' ' A' ' 89' ' ' THR . 2.4 tp -57.31 -52.97 63.18 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -53.26 -46.2 69.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.619 -0.676 . . . . 0.0 109.793 -178.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.74 -49.48 30.78 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.301 -0.875 . . . . 0.0 109.926 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -46.94 85.73 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.392 -0.817 . . . . 0.0 109.07 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -56.37 -43.92 79.64 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.739 -179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 93' ' ' LEU . 6.5 mm-40 -62.63 -45.6 92.08 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 7.5 t-20 -54.03 -51.45 63.98 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.56 -40.91 84.41 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.215 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 90' ' ' GLU . 5.5 mt -57.6 -39.57 77.15 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.438 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 1.6 t-80 -72.35 -37.26 68.86 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.413 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 3.9 mmt180 -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.07 -57.23 3.17 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.582 -0.698 . . . . 0.0 111.558 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' OE1' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -125.65 -110.0 0.31 Allowed 'General case' 0 C--O 1.198 -1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 111.285 -174.159 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.6 mm-40 30.02 -95.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.999 0.52 . . . . 0.0 111.661 -176.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.42 HH11 ' C ' ' A' ' 98' ' ' GLU . 36.1 mmt-85 -119.18 24.16 10.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.065 -1.022 . . . . 0.0 108.409 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.632 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -59.44 -48.81 95.05 Favored Pre-proline 0 C--N 1.287 -2.135 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 7.2 Cg_endo -48.08 42.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.636 0 C-N-CA 124.243 3.295 . . . . 0.0 115.286 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -80.32 76.21 7.13 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.51 63.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.934 0.873 . . . . 0.0 110.502 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 102' ' ' LEU . 17.9 mmtp -124.21 -46.84 1.91 Allowed 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.2 t80 62.51 -57.89 0.14 Allowed 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.707 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 114.53 145.08 8.76 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.185 -2.331 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.108 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 103.648 -3.781 . . . . 0.0 103.648 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.58 158.62 33.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.024 -1.28 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.424 ' SD ' ' N ' ' B' ' 4' ' ' ALA . 0.2 OUTLIER -117.98 128.82 55.16 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' B' ' 3' ' ' MET . . . -133.8 142.57 47.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.88 80.51 0.03 OUTLIER Glycine 0 C--N 1.284 -2.356 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.78 -54.62 44.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.344 -1.092 . . . . 0.0 109.39 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.01 -103.47 0.1 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 51.01 -142.98 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -1.136 . . . . 0.0 109.117 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.48 149.61 0.06 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.557 0.694 . . . . 0.0 110.454 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.442 ' CE2' ' HG2' ' B' ' 12' ' ' GLN . 5.5 p90 -119.01 121.12 39.17 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.18 109.64 12.47 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.568 -0.708 . . . . 0.0 109.174 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.442 ' HG2' ' CE2' ' B' ' 10' ' ' PHE . 1.5 mm-40 -69.47 166.64 18.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 176.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -155.85 56.16 0.6 Allowed 'General case' 0 C--N 1.287 -2.109 0 O-C-N 121.286 -0.884 . . . . 0.0 108.915 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.33 49.39 0.11 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' B' ' 13' ' ' ARG . 29.2 m-85 -93.99 174.32 7.22 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.415 -0.803 . . . . 0.0 109.5 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.598 ' C ' ' H ' ' B' ' 18' ' ' THR . 5.9 t -169.19 90.66 0.22 Allowed 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.54 33.8 0.07 Allowed 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 122.331 1.062 . . . . 0.0 108.97 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.598 ' H ' ' C ' ' B' ' 16' ' ' SER . 2.1 p -91.5 81.07 5.38 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CZ ' ' O ' ' B' ' 16' ' ' SER . 29.0 m-85 -127.63 150.24 49.83 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.47 1.129 . . . . 0.0 111.91 -173.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.36 55.75 0.03 OUTLIER 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' B' ' 24' ' ' THR . 8.4 mmt180 -103.18 150.14 23.96 Favored 'General case' 0 C--N 1.286 -2.178 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.002 -171.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.45 ' C ' ' N ' ' B' ' 24' ' ' THR . 27.1 m-85 -141.53 -116.7 0.12 Allowed 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -54.15 -13.87 0.95 Allowed 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.687 HG21 ' HD2' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' HB3' HG12 ' A' ' 36' ' ' ILE . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.68 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.0 OUTLIER -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.476 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.547 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' B' ' 35' ' ' LEU . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.633 ' HE2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.633 HD12 ' HE2' ' B' ' 37' ' ' LYS . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 46' ' ' LEU . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.494 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.481 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.431 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 3.4 m120 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 55' ' ' ARG . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 56' ' ' LEU . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 53' ' ' ASN . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.626 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 73' ' ' LEU . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.598 ' HA ' HD12 ' B' ' 75' ' ' LEU . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 70' ' ' VAL . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' B' ' 72' ' ' GLU . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.543 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.639 HD23 HD12 ' A' ' 80' ' ' LEU . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.674 HD11 HH11 ' A' ' 81' ' ' ARG . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.545 HH11 HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.66 ' OD1' HD22 ' A' ' 80' ' ' LEU . 6.5 m120 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.8 -51.04 29.31 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -48.01 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.409 -0.807 . . . . 0.0 109.03 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -42.07 75.09 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.928 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.18 -47.4 77.12 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.484 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 8.4 t-20 -51.73 -52.81 45.7 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.7 -40.74 80.2 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.193 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.06 -40.03 79.97 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 2.6 t-80 -72.62 -36.03 67.95 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.622 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 13.9 mmt180 -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -85.38 -48.87 8.6 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.476 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.494 HE21 ' HB3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -132.05 -111.1 0.24 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.016 -1.053 . . . . 0.0 111.419 -175.353 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 97' ' ' GLN . 5.3 mm-40 28.7 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.706 -0.621 . . . . 0.0 112.452 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 97' ' ' GLN . 25.8 mmt-85 -121.17 23.43 10.54 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.035 -1.041 . . . . 0.0 108.988 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -56.37 -51.02 84.26 Favored Pre-proline 0 C--N 1.286 -2.188 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.213 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.2 Cg_endo -46.09 39.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.519 2.977 0 C-N-CA 124.594 3.529 . . . . 0.0 115.771 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.5 OUTLIER -81.18 79.76 7.77 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 176.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 53.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.056 -1.027 . . . . 0.0 110.425 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' B' ' 102' ' ' LEU . 16.4 mmtp -111.21 -49.05 3.04 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 61.3 t80 65.18 -58.6 0.27 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 115.47 139.97 6.95 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.187 -2.186 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.317 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 1 N-CA-C 102.946 -4.062 . . . . 0.0 102.946 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.97 -170.39 0.06 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmt -75.76 122.07 23.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.76 128.89 37.22 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.41 58.29 15.04 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.49 -157.65 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.23 135.4 3.96 Favored Glycine 0 C--N 1.278 -2.648 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -166.58 89.78 0.38 Allowed 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 160.85 13.79 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.301 -0.874 . . . . 0.0 109.31 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -76.93 149.64 36.0 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -75.46 157.97 33.29 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.33 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -91.92 146.31 23.85 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' NH2' ' OD1' ' A' ' 29' ' ' ASN . 7.3 mmm-85 57.18 -161.45 0.21 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.558 0.694 . . . . 0.0 110.253 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -136.08 130.02 32.78 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -177.101 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -72.8 66.48 0.76 Allowed 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.6 m -94.74 90.57 6.13 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 26.5 mm-40 -54.71 72.16 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 121.787 0.803 . . . . 0.0 110.353 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -71.55 178.68 3.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.506 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.05 139.5 41.1 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.177 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 3.0 mp0 -80.41 53.92 1.92 Allowed 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -113.38 -170.97 1.79 Allowed 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -66.2 -170.31 0.09 Allowed 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.377 0.608 . . . . 0.0 110.191 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.3 t60 85.12 143.78 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 177.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.535 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.533 ' OD1' ' NH2' ' A' ' 13' ' ' ARG . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.52 ' SD ' ' HB3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 32' ' ' LYS . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' B' ' 27' ' ' LEU . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.56 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' B' ' 63' ' ' LEU . 3.0 mt -86.04 65.07 8.92 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -32.35 -69.94 0.12 Allowed Glycine 0 N--CA 1.502 3.097 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.788 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.19 69.87 0.09 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -52.32 -7.13 0.06 Allowed 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.972 -0.722 . . . . 0.0 112.126 -178.707 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -26.83 1.27 Allowed 'General case' 0 N--CA 1.51 2.56 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.79 -42.34 50.37 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 tpp180 -59.3 -48.6 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' B' ' 73' ' ' LEU . 58.0 t -52.38 -59.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.5 mtm105 -55.66 -39.86 71.47 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.515 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.5 -40.72 97.6 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.416 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' HG13 ' B' ' 70' ' ' VAL . 63.0 mt -67.42 -37.54 83.21 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.038 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.05 -52.42 62.86 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 71' ' ' ARG . 2.1 mt -55.06 -42.45 72.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -47.02 85.67 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 176.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD23 HD12 ' B' ' 80' ' ' LEU . 18.2 mt -56.12 -50.23 71.68 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 81' ' ' ARG . 2.2 m-20 -60.44 -35.73 76.53 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.651 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -58.9 -52.05 67.4 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 177.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.528 HD12 HD23 ' B' ' 77' ' ' LEU . 13.6 mt -59.5 -41.21 89.39 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 121.503 -0.748 . . . . 0.0 109.078 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HD2' HH11 ' A' ' 81' ' ' ARG . 1.9 mtp180 -61.52 -36.04 79.4 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.681 -1.262 . . . . 0.0 107.772 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.69 -54.37 47.16 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -56.47 -53.12 61.15 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -50.89 -49.05 60.18 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.656 -0.652 . . . . 0.0 109.437 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -56.49 -53.9 52.1 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.357 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.6 -49.95 69.22 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.518 0.675 . . . . 0.0 109.658 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 16.2 mt -65.29 -48.16 74.14 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 121.015 -1.053 . . . . 0.0 110.071 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -62.85 -45.46 92.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.174 -0.954 . . . . 0.0 108.693 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.03 97.63 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.554 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 93' ' ' LEU . 9.5 mt-10 -62.33 -47.68 83.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.964 -1.085 . . . . 0.0 109.35 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -56.32 -47.12 79.38 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.13 -44.51 83.39 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.553 -0.717 . . . . 0.0 109.245 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 90' ' ' GLU . 50.0 mt -59.98 -24.16 64.2 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 109.121 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.471 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 21.5 t-160 -85.25 -46.49 10.98 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.5 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -66.59 -46.93 74.35 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.4 -26.8 67.42 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -89.09 83.93 6.56 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.033 -1.042 . . . . 0.0 108.709 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -71.39 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.417 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' HE ' ' CD ' ' A' ' 98' ' ' GLU . 7.1 mmt85 -99.39 38.3 1.44 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.748 ' H ' ' HD3' ' A' ' 101' ' ' PRO . . . -134.28 -2.04 0.04 OUTLIER Pre-proline 0 C--O 1.194 -1.84 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -175.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.748 ' HD3' ' H ' ' A' ' 100' ' ' ALA . 65.7 Cg_exo -36.56 41.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.509 2.416 1 C-N-CA 125.329 4.02 . . . . 0.0 118.502 -175.188 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 100' ' ' ALA . 13.3 mt 53.04 -68.25 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.07 0.948 . . . . 0.0 111.881 175.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 101' ' ' PRO . 0.7 OUTLIER -74.01 171.43 13.5 Favored 'General case' 0 C--N 1.282 -2.358 0 O-C-N 121.377 -0.827 . . . . 0.0 109.523 -179.546 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.534 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER 30.73 52.84 0.14 Allowed 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 123.168 0.587 . . . . 0.0 111.312 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.58 160.52 8.94 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.239 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.9 -175.51 28.12 Favored Glycine 0 C--N 1.282 -2.457 0 N-CA-C 107.543 -2.223 . . . . 0.0 107.543 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.182 -2.464 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.884 0 N-CA-C 103.844 -3.702 . . . . 0.0 103.844 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.57 176.93 0.76 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.806 -1.408 . . . . 0.0 107.454 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.536 ' SD ' ' N ' ' B' ' 3' ' ' MET . 2.8 mmt -59.53 120.05 8.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.88 136.31 40.13 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.475 -0.766 . . . . 0.0 109.143 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.21 55.17 25.63 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 7' ' ' GLY . 15.1 t0 -85.6 -174.4 5.15 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 6' ' ' ASP . . . 97.84 106.36 2.49 Favored Glycine 0 C--N 1.282 -2.437 0 N-CA-C 108.617 -1.793 . . . . 0.0 108.617 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.86 104.61 6.06 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 162.52 21.58 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.05 -1.031 . . . . 0.0 109.501 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -78.34 154.91 30.42 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.596 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -80.81 154.59 27.08 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.358 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -87.42 145.69 26.18 Favored 'General case' 0 C--N 1.282 -2.333 0 O-C-N 121.397 -0.814 . . . . 0.0 109.899 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.535 HH21 ' CG ' ' B' ' 14' ' ' ASP . 6.3 mmm-85 57.21 -156.35 0.31 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.619 -0.676 . . . . 0.0 110.243 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.535 ' CG ' HH21 ' B' ' 13' ' ' ARG . 0.5 OUTLIER -143.05 126.99 17.27 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.021 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.66 60.18 0.15 Allowed 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.521 ' O ' ' N ' ' B' ' 18' ' ' THR . 15.7 m -86.82 89.13 7.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' B' ' 17' ' ' GLU . 9.7 mm-40 -52.96 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.521 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.8 OUTLIER -85.04 172.41 11.31 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.11 142.92 3.39 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.219 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' SD ' ' B' ' 30' ' ' MET . 4.4 mp0 -82.5 49.88 1.54 Allowed 'General case' 0 C--N 1.258 -3.38 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.51 -171.36 1.82 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.726 -0.609 . . . . 0.0 109.402 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -169.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.816 -0.552 . . . . 0.0 110.579 -178.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 81.54 144.14 0.08 Allowed 'General case' 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.578 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.578 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.51 ' OD1' ' NH2' ' B' ' 13' ' ' ARG . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.473 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' B' ' 32' ' ' LYS . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 27' ' ' LEU . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 46' ' ' LEU . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.56 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' B' ' 58' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 56' ' ' LEU . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.529 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.446 ' O ' HD12 ' B' ' 63' ' ' LEU . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 63' ' ' LEU . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' A' ' 73' ' ' LEU . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.666 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 70' ' ' VAL . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.666 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 80' ' ' LEU . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 77' ' ' LEU . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -59.76 -49.01 79.39 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.86 -48.73 75.55 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -40.64 88.85 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.864 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.98 -41.86 95.05 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 108.602 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -61.26 -46.25 91.13 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -54.78 -47.99 73.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.91 -29.09 64.82 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.464 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -81.9 -44.06 17.31 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 118.657 -1.217 . . . . 0.0 108.719 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.24 -46.29 67.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-O 121.897 0.856 . . . . 0.0 109.54 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.88 -43.38 93.1 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.48 90.23 1.31 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.337 -0.852 . . . . 0.0 109.57 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.449 ' CD ' ' HE ' ' B' ' 99' ' ' ARG . 0.1 OUTLIER -77.88 -81.97 0.09 Allowed 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.315 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.449 ' HE ' ' CD ' ' B' ' 98' ' ' GLU . 8.0 mmt85 -100.17 34.91 2.2 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.079 -1.013 . . . . 0.0 108.537 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 101' ' ' PRO . . . -129.59 -2.44 0.04 OUTLIER Pre-proline 0 C--O 1.187 -2.215 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 100' ' ' ALA . 43.3 Cg_exo -35.98 37.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.513 2.623 0 C-N-CA 125.222 3.948 . . . . 0.0 119.275 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.654 ' N ' ' O ' ' B' ' 100' ' ' ALA . 24.1 mt 55.98 -63.38 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.974 -1.079 . . . . 0.0 112.039 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.568 ' N ' ' O ' ' B' ' 101' ' ' PRO . 9.9 m -80.34 171.74 14.67 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.331 -0.855 . . . . 0.0 108.728 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . 0.524 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER 30.1 57.12 0.19 Allowed 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.1 145.7 53.17 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.58 167.21 16.12 Favored Glycine 0 C--N 1.277 -2.696 0 N-CA-C 106.453 -2.659 . . . . 0.0 106.453 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.193 -1.899 0 CA-C-N 118.806 1.303 . . . . 0.0 109.222 -178.25 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' B' ' 4' ' ' ALA . . . . . . . . 0 N--CA 1.472 1.036 1 N-CA-C 102.917 -4.073 . . . . 0.0 102.917 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . 61.68 -148.65 0.4 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.833 -0.804 . . . . 0.0 109.347 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm 62.29 -67.38 0.07 Allowed 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.583 -0.698 . . . . 0.0 109.225 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.55 ' O ' ' HA2' ' B' ' 1' ' ' GLY . . . -75.11 -5.84 46.38 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.61 173.64 34.36 Favored Glycine 0 C--N 1.286 -2.226 0 N-CA-C 105.804 -2.918 . . . . 0.0 105.804 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -121.8 163.0 19.87 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 118.859 1.33 . . . . 0.0 108.815 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -67.27 -61.59 5.02 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m 59.96 -48.14 0.09 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 122.321 -0.517 . . . . 0.0 111.472 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' GLY . 34.7 mt-10 -73.93 73.45 1.64 Allowed 'General case' 0 C--N 1.287 -2.139 0 O-C-N 120.964 -1.085 . . . . 0.0 109.569 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -87.95 153.38 21.35 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -149.25 113.27 5.16 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.37 -58.23 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' NH2' ' OG ' ' B' ' 31' ' ' SER . 9.2 mtm180 -99.02 140.74 32.72 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 171.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.31 172.14 7.5 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.232 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.29 166.27 14.27 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -164.07 128.17 2.68 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.468 -1.395 . . . . 0.0 109.63 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.59 52.98 2.0 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.59 98.97 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.202 -0.937 . . . . 0.0 109.579 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.555 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 6.4 p90 -71.85 -160.12 0.06 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.845 -1.159 . . . . 0.0 109.932 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 34.99 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 123.923 0.889 . . . . 0.0 112.341 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.555 ' NH1' ' O ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -76.32 -176.58 3.68 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.142 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -75.66 -148.72 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -16.21 8.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' B' ' 39' ' ' TYR . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 24' ' ' THR . 0.8 OUTLIER -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' GLU . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.459 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.633 ' OG ' ' NH2' ' B' ' 13' ' ' ARG . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 32' ' ' LYS . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD21 HG23 ' B' ' 24' ' ' THR . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.729 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 49' ' ' MET . 3.9 m120 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HE ' ' HB3' ' A' ' 55' ' ' ARG . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt -127.35 157.96 38.55 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -152.73 -106.12 0.29 Allowed Glycine 0 C--N 1.283 -2.368 0 N-CA-C 106.596 -2.602 . . . . 0.0 106.596 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 66' ' ' ASP . . . 164.95 -149.87 17.1 Favored Glycine 0 C--N 1.277 -2.727 0 N-CA-C 105.444 -3.062 . . . . 0.0 105.444 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.2 OUTLIER 78.68 -8.64 1.62 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 118.398 1.099 . . . . 0.0 113.603 175.053 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.45 -32.38 17.76 Favored 'General case' 0 N--CA 1.532 3.663 0 O-C-N 120.355 -1.466 . . . . 0.0 109.823 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.34 -27.95 61.79 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.44 HH21 ' CG ' ' A' ' 66' ' ' ASP . 4.1 tpp180 -68.26 -48.0 66.23 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' B' ' 73' ' ' LEU . 51.5 t -49.87 -53.94 9.05 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.51 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -56.51 -48.25 77.6 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 75' ' ' LEU . 7.3 mt-10 -58.39 -41.07 84.06 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.572 ' CD1' HG13 ' B' ' 70' ' ' VAL . 91.6 mt -66.89 -39.77 87.55 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.592 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.79 -49.53 77.34 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.0 mt -57.64 -41.06 80.62 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.68 -42.78 95.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.37 -0.831 . . . . 0.0 108.838 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD23 HD12 ' B' ' 80' ' ' LEU . 23.9 mt -62.58 -47.86 81.97 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 109.191 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.72 -42.1 78.61 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.32 -48.57 69.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.609 HD12 HD23 ' B' ' 77' ' ' LEU . 9.5 mt -56.86 -42.87 80.53 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.6 -40.89 96.41 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.96 80.02 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -52.4 62.8 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' B' ' 83' ' ' GLU . 4.8 m120 -47.99 -51.83 22.28 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -53.74 -53.33 53.75 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -60.55 -36.93 79.66 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -177.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.547 HD22 ' HG ' ' B' ' 88' ' ' LEU . 18.2 mt -75.78 -47.62 25.09 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.167 -0.958 . . . . 0.0 109.333 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -61.81 -46.37 89.78 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -56.66 -39.98 74.7 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.601 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 93' ' ' LEU . 21.1 mt-10 -70.16 -37.95 75.33 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 120.905 -1.122 . . . . 0.0 109.134 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -61.86 -46.62 88.64 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.8 mt-10 -49.11 -52.09 28.1 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 90' ' ' GLU . 30.5 mt -54.87 -25.13 26.74 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.11 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.495 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 0.8 OUTLIER -86.63 -52.3 5.63 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.7 175.439 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.509 HH21 ' CD ' ' B' ' 90' ' ' GLU . 30.1 mtt180 -69.39 -43.37 73.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.986 -0.446 . . . . 0.0 111.504 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.469 ' O ' ' CD ' ' A' ' 101' ' ' PRO . 0.3 OUTLIER -67.28 -39.02 85.99 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -177.334 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.664 HE22 HD23 ' A' ' 93' ' ' LEU . 18.0 mp0 -79.3 25.3 0.31 Allowed 'General case' 0 C--N 1.281 -2.394 0 O-C-N 121.539 -0.726 . . . . 0.0 110.287 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' ALA . 5.4 mm-40 -96.4 -158.88 0.69 Allowed 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.482 HH22 ' CD ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.62 50.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.114 -0.991 . . . . 0.0 108.925 177.362 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.799 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -103.8 -70.34 0.03 OUTLIER Pre-proline 0 C--N 1.3 -1.563 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.799 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.3 Cg_endo -46.12 118.02 2.2 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 C-N-CA 122.307 2.005 . . . . 0.0 110.318 175.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 6.6 mt -48.17 -31.75 6.12 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.536 -0.728 . . . . 0.0 109.796 -177.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -21.0 62.41 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 121.543 -0.723 . . . . 0.0 109.802 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -100.28 40.57 1.24 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.958 -1.089 . . . . 0.0 108.62 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -62.76 163.77 8.84 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.22 106.05 1.03 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.274 -1.931 . . . . 0.0 108.274 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 C--O 1.199 -1.604 0 O-C-N 122.027 -0.69 . . . . 0.0 110.038 -178.212 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . 0 CA--C 1.535 1.282 1 N-CA-C 102.594 -4.202 . . . . 0.0 102.594 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 55.61 -153.88 0.32 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.36 -1.082 . . . . 0.0 109.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 65.49 -69.15 0.11 Allowed 'General case' 0 N--CA 1.509 2.476 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -177.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.695 ' O ' ' HA2' ' A' ' 1' ' ' GLY . . . -70.39 -7.09 40.34 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.95 172.44 38.1 Favored Glycine 0 C--N 1.292 -1.903 0 N-CA-C 106.333 -2.707 . . . . 0.0 106.333 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -119.2 159.79 23.37 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 118.477 1.139 . . . . 0.0 109.066 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -67.26 -57.21 9.65 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 107.466 -2.253 . . . . 0.0 107.466 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m 60.52 -49.55 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.972 -0.722 . . . . 0.0 111.643 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 7' ' ' GLY . 16.2 mt-10 -70.87 78.88 0.63 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.831 -1.168 . . . . 0.0 109.703 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -93.07 151.05 20.1 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 ' HD1' ' B' ' 15' ' ' PHE . 4.3 mp -144.05 117.97 9.38 Favored 'General case' 0 C--N 1.29 -1.987 0 O-C-N 121.485 -0.759 . . . . 0.0 109.904 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.33 -48.53 27.66 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.633 ' NH2' ' OG ' ' A' ' 31' ' ' SER . 3.5 mtm180 -110.33 146.81 35.1 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -72.5 159.15 34.4 Favored 'General case' 0 C--N 1.289 -2.044 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.742 -177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.503 ' HD1' HD23 ' B' ' 11' ' ' LEU . 7.2 m-85 -113.34 135.8 53.46 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.78 129.68 24.78 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.631 -175.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.67 56.53 2.67 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.67 104.04 0.25 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.157 -0.965 . . . . 0.0 108.626 -177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.586 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 6.8 p90 -78.21 -160.72 0.22 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.611 -0.68 . . . . 0.0 110.066 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.421 ' N ' ' CD2' ' B' ' 19' ' ' TYR . 7.0 pt-20 34.87 38.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 123.805 0.842 . . . . 0.0 112.186 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 19' ' ' TYR . 0.2 OUTLIER -79.17 178.71 7.85 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.405 ' C ' ' N ' ' B' ' 24' ' ' THR . 2.0 m-85 -72.88 -154.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 174.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -18.8 1.43 Allowed 'General case' 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 173.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.726 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 39' ' ' TYR . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.726 ' OE1' HG22 ' B' ' 24' ' ' THR . 0.9 OUTLIER -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' B' ' 25' ' ' GLU . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.483 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.611 ' OG ' ' NH2' ' A' ' 13' ' ' ARG . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' B' ' 31' ' ' SER . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 32' ' ' LYS . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 28' ' ' GLN . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.495 HD21 HG23 ' A' ' 24' ' ' THR . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.467 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.729 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 46' ' ' LEU . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 49' ' ' MET . 3.9 m120 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.408 ' N ' ' N ' ' A' ' 65' ' ' GLY . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 73' ' ' LEU . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.561 ' CD1' HG13 ' A' ' 70' ' ' VAL . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 80' ' ' LEU . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 77' ' ' LEU . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.695 ' HB3' HD22 ' A' ' 84' ' ' ASN . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLN . . . . . 0.434 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.525 HD22 ' HG ' ' A' ' 88' ' ' LEU . 18.3 mt -76.79 -47.19 22.35 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.547 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.02 -46.3 88.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.27 -0.894 . . . . 0.0 108.623 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.434 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -55.08 -40.91 70.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.085 178.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.737 ' HA ' HD12 ' B' ' 93' ' ' LEU . 23.4 mt-10 -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.237 -0.915 . . . . 0.0 109.851 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.474 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 6.2 t-20 -60.48 -46.3 90.58 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 96' ' ' GLN . 3.8 mt-10 -51.56 -50.43 60.1 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 90' ' ' GLU . 31.8 mt -53.94 -24.85 17.85 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.002 -178.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' HIS . . . . . 0.471 ' HD1' ' C ' ' B' ' 94' ' ' HIS . 0.5 OUTLIER -86.21 -54.45 4.45 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.085 175.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.474 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 46.1 mtt180 -67.85 -51.87 43.33 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.622 . . . . 0.0 111.372 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' B' ' 101' ' ' PRO . 0.2 OUTLIER -58.85 -32.92 69.86 Favored 'General case' 0 C--N 1.279 -2.462 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -176.087 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.682 HE22 HD23 ' B' ' 93' ' ' LEU . 16.3 mp0 -86.02 16.67 4.03 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 121.861 -0.524 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 100' ' ' ALA . 5.3 mm-40 -88.29 -158.18 0.46 Allowed 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 175.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 53.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.028 -1.045 . . . . 0.0 109.065 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.779 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -107.54 -69.58 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.768 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.779 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 1.7 Cg_endo -47.08 117.48 2.23 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 122.145 1.897 . . . . 0.0 110.163 174.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.99 -37.85 7.06 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.462 -0.774 . . . . 0.0 109.397 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -26.56 68.22 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.584 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -94.22 41.82 1.09 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.863 -1.148 . . . . 0.0 108.106 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -61.62 171.41 1.54 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 108.45 2.48 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.197 -1.693 0 O-C-N 121.941 -0.74 . . . . 0.0 109.646 -178.436 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 1 N-CA-C 102.904 -4.078 . . . . 0.0 102.904 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.25 -77.27 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -1.195 . . . . 0.0 108.215 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -153.59 159.7 42.22 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.368 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 148.78 39.28 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.28 94.56 0.54 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -143.07 -59.97 0.43 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.76 103.09 0.19 Allowed Glycine 0 C--N 1.28 -2.542 0 N-CA-C 106.431 -2.667 . . . . 0.0 106.431 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -68.71 0.15 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.295 -1.121 . . . . 0.0 109.857 -173.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -95.39 177.7 5.75 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -110.47 151.28 27.73 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.01 131.47 35.18 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.3 78.56 0.54 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.705 0.764 . . . . 0.0 110.108 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -90.56 -160.1 0.68 Allowed 'General case' 0 C--N 1.264 -3.132 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 175.466 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 45.22 51.05 9.43 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 17' ' ' GLU . 1.1 m-85 -56.37 87.37 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.712 -0.617 . . . . 0.0 109.606 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.66 19.07 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 O-C-N 120.921 -1.112 . . . . 0.0 112.191 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 mt-10 -70.79 89.46 0.76 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.91 70.3 0.14 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.3 -0.875 . . . . 0.0 109.385 -175.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' GLU . 31.6 m-85 -114.66 148.87 37.58 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.646 -0.658 . . . . 0.0 109.246 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' C ' ' HE ' ' A' ' 21' ' ' ARG . 36.2 mt-10 -143.45 76.33 1.51 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 175.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' HIS . 1.6 mmp_? -120.64 146.3 46.53 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -68.12 44.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.796 0.808 . . . . 0.0 109.269 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 21' ' ' ARG . 2.7 m-70 -114.73 177.97 4.45 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.671 HG22 ' OE1' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' B' ' 36' ' ' ILE . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.671 ' OE1' HG22 ' A' ' 24' ' ' THR . 1.1 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.51 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' O ' ' OH ' ' B' ' 39' ' ' TYR . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.622 HD13 ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.478 ' HE2' HD11 ' B' ' 46' ' ' LEU . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.469 ' OD1' ' ND2' ' B' ' 53' ' ' ASN . 3.5 m120 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 56' ' ' LEU . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt -107.51 85.64 2.16 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -64.84 138.54 39.87 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.14 61.24 1.41 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.1 m-20 -57.45 -9.19 0.99 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 122.14 -0.623 . . . . 0.0 110.924 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.19 -27.7 9.51 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.61 -39.68 62.01 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.51 ' HB3' HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -57.47 -52.18 66.45 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 173.431 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.647 HG13 HD11 ' B' ' 73' ' ' LEU . 48.2 t -49.86 -49.66 20.27 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 71' ' ' ARG . 12.5 ttm180 -60.66 -47.27 87.0 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.92 -177.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HA ' HD12 ' A' ' 75' ' ' LEU . 51.9 mt-10 -60.9 -41.79 96.74 Favored 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.254 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.635 HD11 HG13 ' B' ' 70' ' ' VAL . 81.4 mt -65.73 -39.61 91.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.316 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.76 -49.62 77.02 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.7 mt -59.1 -35.78 74.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.545 ' CD ' HH22 ' A' ' 79' ' ' ARG . 28.6 tp10 -67.95 -45.66 73.6 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.646 HD23 HD12 ' B' ' 80' ' ' LEU . 28.3 mt -63.92 -35.67 81.41 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -61.85 -48.03 82.37 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.741 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.545 HH22 ' CD ' ' A' ' 76' ' ' GLU . 1.9 ttp85 -58.06 -55.81 30.07 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.722 HD12 HD23 ' B' ' 77' ' ' LEU . 10.3 mt -53.29 -42.63 66.78 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 78' ' ' ASP . 9.8 mtp180 -64.67 -38.03 89.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.5 -49.58 77.22 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' B' ' 84' ' ' ASN . 0.5 OUTLIER -61.32 -55.75 28.15 Favored 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.447 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.42 -49.52 13.23 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.7 tp -57.54 -53.12 61.71 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -53.53 -41.29 66.24 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.913 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.644 HD22 ' HG ' ' B' ' 88' ' ' LEU . 12.5 mt -76.82 -45.77 27.34 Favored 'General case' 0 C--N 1.282 -2.359 0 O-C-N 121.17 -0.956 . . . . 0.0 109.971 -175.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.615 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -66.2 -41.85 89.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.214 -0.929 . . . . 0.0 108.517 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -58.75 -38.22 77.95 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.473 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mt-10 -71.6 -41.36 69.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.922 . . . . 0.0 108.789 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.16 -46.91 84.89 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.3 mt-10 -50.64 -47.18 58.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 173.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 90' ' ' GLU . 1.9 mt -58.96 -57.69 11.94 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -54.14 -40.67 67.64 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 118.413 -1.315 . . . . 0.0 109.957 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -74.11 -42.07 60.63 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.446 -0.784 . . . . 0.0 109.396 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -80.98 -21.47 40.29 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.229 -0.919 . . . . 0.0 109.762 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' O ' ' C ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -76.97 -49.09 16.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.612 -176.305 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER 17.41 -88.54 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 121.337 0.589 . . . . 0.0 111.344 179.046 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' CA ' ' NE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -127.57 37.49 4.21 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.524 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -62.11 -58.5 17.26 Favored Pre-proline 0 C--N 1.297 -1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 108.92 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.524 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 6.1 Cg_exo -38.47 117.54 0.29 Allowed 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.096 2.531 . . . . 0.0 111.324 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.72 122.27 3.59 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.432 -0.793 . . . . 0.0 109.172 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -50.41 129.74 22.36 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.64 48.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.167 -0.958 . . . . 0.0 109.123 -178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 p90 179.72 169.31 1.16 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -59.03 4.45 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.187 -2.218 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 1 N-CA-C 102.919 -4.072 . . . . 0.0 102.919 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.62 -104.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -133.94 147.58 51.08 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.502 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.26 19.39 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.098 -1.001 . . . . 0.0 108.311 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.75 66.48 0.57 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.99 -61.02 1.68 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.36 101.42 0.18 Allowed Glycine 0 C--N 1.284 -2.35 0 N-CA-C 105.891 -2.883 . . . . 0.0 105.891 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -55.74 18.92 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.288 -1.125 . . . . 0.0 110.734 -173.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.77 160.97 16.81 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -97.8 147.29 24.54 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' ' HD3' ' B' ' 13' ' ' ARG . 10.9 mp -79.31 129.27 34.3 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.97 73.82 0.44 Allowed 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.607 0.717 . . . . 0.0 110.487 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.506 ' CZ ' ' HB2' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -85.39 -167.34 1.8 Allowed 'General case' 0 C--N 1.266 -3.053 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' B' ' 16' ' ' SER . 27.7 t70 51.79 47.68 24.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.258 -0.902 . . . . 0.0 108.795 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -50.67 88.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.676 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -70.39 30.42 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.204 -0.935 . . . . 0.0 110.113 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -78.05 86.75 4.21 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.13 75.54 0.05 Allowed 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -176.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' B' ' 17' ' ' GLU . 47.9 m-85 -124.68 145.71 49.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.07 80.8 1.78 Allowed 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.2 OUTLIER -127.71 145.55 50.86 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -177.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.474 ' C ' ' HD1' ' B' ' 23' ' ' HIS . 20.1 p90 -68.35 55.07 0.08 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' ARG . 3.3 m-70 -126.38 157.15 39.24 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.65 HG22 ' OE1' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' HG12 ' A' ' 36' ' ' ILE . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.65 ' OE1' HG22 ' B' ' 24' ' ' THR . 1.5 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.461 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 32' ' ' LYS . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.595 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 49' ' ' MET . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' MET . . . . . 0.469 ' O ' ' OD1' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.509 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.469 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 4.6 m120 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.509 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 62' ' ' ARG . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.522 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 73' ' ' LEU . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' B' ' 75' ' ' LEU . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 70' ' ' VAL . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.41 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 80' ' ' LEU . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ARG . . . . . 0.41 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.646 HD12 HD23 ' A' ' 77' ' ' LEU . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.595 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.4 HD22 ' HB3' ' A' ' 83' ' ' GLU . 4.7 m120 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' B' ' 89' ' ' THR . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.615 HD22 ' HG ' ' A' ' 88' ' ' LEU . 12.3 mt -76.6 -46.69 25.05 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -64.78 -42.35 95.15 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.21 -0.931 . . . . 0.0 108.572 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.5 OUTLIER -59.05 -38.32 79.11 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.288 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -69.02 -40.79 78.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.913 175.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ASN . . . . . 0.408 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -60.03 -46.8 88.33 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 89' ' ' THR . 33.2 mt-10 -50.95 -47.83 61.03 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 173.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' B' ' 90' ' ' GLU . 4.1 mt -57.13 -57.32 13.1 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.905 -1.118 . . . . 0.0 109.186 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -55.37 -40.38 71.24 Favored 'General case' 0 C--N 1.279 -2.483 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.024 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.7 mmt85 -75.53 -40.88 56.32 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.419 -0.801 . . . . 0.0 109.501 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.3 -23.43 37.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.586 -0.696 . . . . 0.0 110.07 -176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' B' ' 98' ' ' GLU . 0.5 OUTLIER -77.18 -45.73 25.67 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.081 -1.012 . . . . 0.0 109.666 -176.433 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER 15.03 -85.65 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 123.079 0.552 . . . . 0.0 111.432 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.424 ' CA ' ' NE ' ' B' ' 99' ' ' ARG . 0.0 OUTLIER -128.75 36.12 4.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.068 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.508 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -64.01 -58.45 14.48 Favored Pre-proline 0 C--N 1.298 -1.658 0 O-C-N 121.417 -0.802 . . . . 0.0 109.206 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -39.78 122.83 1.09 Allowed 'Trans proline' 0 N--CA 1.481 0.752 0 C-N-CA 122.31 2.006 . . . . 0.0 110.572 178.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.88 124.16 7.04 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.78 . . . . 0.0 109.134 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 105' ' ' PHE . 0.3 OUTLIER -52.09 123.55 10.8 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -65.92 42.62 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.166 -0.959 . . . . 0.0 110.183 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' B' ' 103' ' ' SER . 17.1 p90 -171.01 176.6 3.98 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.14 -74.19 0.73 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.173 -2.961 0 O-C-N 121.352 -1.087 . . . . 0.0 108.445 177.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 N--CA 1.502 2.16 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' MET . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 HG23 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.84 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 32' ' ' LYS . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HE22 ' B' ' 28' ' ' GLN . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.502 HD11 ' HE2' ' B' ' 49' ' ' MET . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.539 ' HE2' HD11 ' B' ' 46' ' ' LEU . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.635 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.1 m-80 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HE ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt . . . . . 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' B' ' 27' ' ' LEU . 3.8 t60 . . . . . 0 N--CA 1.501 2.101 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.519 ' C ' HD22 ' B' ' 29' ' ' ASN . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.648 HD13 HG23 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.854 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.519 HD22 ' C ' ' B' ' 25' ' ' GLU . 33.1 m-80 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.587 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 32' ' ' LYS . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.84 HG21 HE22 ' A' ' 28' ' ' GLN . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.548 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.548 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 49' ' ' MET . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.582 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.473 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.635 ' ND2' HD21 ' A' ' 53' ' ' ASN . 3.7 m-80 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 56' ' ' LEU . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' B' ' 55' ' ' ARG . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.424 ' HA ' HD12 ' B' ' 63' ' ' LEU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.516 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 75' ' ' LEU . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 72' ' ' GLU . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 80' ' ' LEU . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.538 HE21 ' C ' ' B' ' 82' ' ' ALA . 29.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.536 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.875 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' NE2' ' B' ' 28' ' ' GLN . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 42' ' ' LEU . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.749 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.61 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.9 m-80 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' B' ' 56' ' ' LEU . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 63' ' ' LEU . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 60' ' ' SER . 6.1 mt . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.533 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 29' ' ' ASN . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.517 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.932 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 34' ' ' GLU . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 32' ' ' LYS . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.875 HD13 ' NE2' ' A' ' 28' ' ' GLN . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 42' ' ' LEU . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.749 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.61 ' ND2' HD21 ' A' ' 53' ' ' ASN . 1.4 m-80 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.442 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 56' ' ' LEU . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.442 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.703 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' B' ' 60' ' ' SER . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.457 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.701 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' B' ' 72' ' ' GLU . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' B' ' 80' ' ' LEU . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 m80 . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.75 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 HG23 ' B' ' 36' ' ' ILE . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.811 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.627 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.8 HD13 ' NE2' ' B' ' 28' ' ' GLN . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 HD13 ' B' ' 42' ' ' LEU . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.521 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.521 HH21 ' HB3' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.722 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.448 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 36' ' ' ILE . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.8 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.595 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.627 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.811 HD13 ' NE2' ' A' ' 28' ' ' GLN . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 42' ' ' LEU . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.489 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.554 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' B' ' 75' ' ' LEU . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.468 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' B' ' 80' ' ' LEU . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.468 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' NE2' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 HG23 ' B' ' 36' ' ' ILE . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.878 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' B' ' 30' ' ' MET . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HE22 ' B' ' 28' ' ' GLN . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' MET . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.485 ' CG ' ' SD ' ' B' ' 49' ' ' MET . 10.5 m-80 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt . . . . . 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.752 HG22 ' NE2' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 36' ' ' ILE . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.881 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.419 ' CD2' ' HE2' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.878 HD13 ' NE2' ' A' ' 28' ' ' GLN . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.426 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.439 ' HA ' HD12 ' B' ' 63' ' ' LEU . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.471 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.618 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 80' ' ' LEU . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.618 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 6.2 t-80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.706 0.765 . . . . 0.0 109.034 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 HD13 ' OE1' ' B' ' 28' ' ' GLN . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' B' ' 42' ' ' LEU . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 HD11 ' B' ' 42' ' ' LEU . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.508 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE2' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 49' ' ' MET . 13.5 m-80 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' B' ' 56' ' ' LEU . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' B' ' 63' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' B' ' 25' ' ' GLU . 5.5 t-80 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.92 0.867 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.835 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 29' ' ' ASN . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 27' ' ' LEU . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.835 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' B' ' 25' ' ' GLU . 19.9 m-80 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.433 ' H ' ' HG ' ' B' ' 31' ' ' SER . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.746 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' NE2' ' B' ' 33' ' ' GLN . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 32' ' ' LYS . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 28' ' ' GLN . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' A' ' 42' ' ' LEU . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 42' ' ' LEU . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.48 ' ND2' HD21 ' A' ' 53' ' ' ASN . 7.3 m-80 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 56' ' ' LEU . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.503 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.492 ' O ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 56' ' ' LEU . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.931 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 69' ' ' ARG . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.482 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' B' ' 75' ' ' LEU . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.482 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.611 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.611 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 80' ' ' LEU . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 120.8 0.333 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HA ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' B' ' 28' ' ' GLN . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.408 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' B' ' 63' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.953 0.406 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.569 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 27' ' ' LEU . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.71 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 28' ' ' GLN . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' B' ' 44' ' ' LYS . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.565 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.565 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.646 ' O ' HG23 ' B' ' 70' ' ' VAL . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.556 ' NH2' HD21 ' B' ' 73' ' ' LEU . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 66' ' ' ASP . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.447 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.447 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.556 HD21 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 72' ' ' GLU . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.487 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.487 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' B' ' 81' ' ' ARG . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 . . . . . 0 N--CA 1.507 2.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.724 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' B' ' 39' ' ' TYR . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.777 ' HG3' HD13 ' B' ' 36' ' ' ILE . 4.3 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.432 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 32' ' ' LYS . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' B' ' 27' ' ' LEU . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.602 HD21 ' ND2' ' B' ' 53' ' ' ASN . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 63' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 N--CA 1.504 2.244 0 CA-C-O 120.755 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.725 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 39' ' ' TYR . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.795 ' HG3' HD13 ' A' ' 36' ' ' ILE . 4.0 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.777 HD13 ' HG3' ' A' ' 28' ' ' GLN . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 27' ' ' LEU . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.451 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.602 ' ND2' HD21 ' A' ' 53' ' ' ASN . 9.8 m-80 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 63' ' ' LEU . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.592 ' HB2' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.455 ' OD1' ' NH1' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.51 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.528 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.455 ' NH1' ' OD1' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.51 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.477 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 . . . . . 0 N--CA 1.505 2.277 0 CA-C-O 121.379 0.609 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.716 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' B' ' 39' ' ' TYR . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.716 HE22 HG22 ' A' ' 24' ' ' THR . 1.2 mp0 -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 34' ' ' GLU . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.752 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' SER . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' B' ' 28' ' ' GLN . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD11 HG23 ' B' ' 24' ' ' THR . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.7 m-80 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 51' ' ' ASP . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 56' ' ' LEU . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt . . . . . 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 121.514 0.674 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.64 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.525 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.64 HE22 HG22 ' B' ' 24' ' ' THR . 1.7 mp0 -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.49 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' HG3' ' A' ' 28' ' ' GLN . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.523 ' CD2' HD22 ' A' ' 27' ' ' LEU . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' B' ' 46' ' ' LEU . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.541 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.598 HD21 ' ND2' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 61' ' ' LYS . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 58' ' ' LEU . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.54 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.53 ' O ' HG23 ' B' ' 70' ' ' VAL . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 66' ' ' ASP . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.693 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.693 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 81' ' ' ARG . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.508 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.461 ' HA ' ' NE2' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.508 HE21 ' C ' ' B' ' 82' ' ' ALA . 30.7 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 25' ' ' GLU . 46.4 m-70 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.946 HG22 HE22 ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.946 HE22 HG22 ' A' ' 24' ' ' THR . 1.5 mp0 -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.492 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 ' HG3' ' B' ' 28' ' ' GLN . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.531 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.737 ' SD ' HD11 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 56' ' ' LEU . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.564 HD21 ' ND2' ' B' ' 53' ' ' ASN . 10.8 m-80 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.601 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' B' ' 57' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HG3' HD21 ' B' ' 56' ' ' LEU . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' B' ' 63' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.428 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 17.3 m-70 . . . . . 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.964 HG22 HE22 ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ASN . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' A' ' 36' ' ' ILE . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.964 HE22 HG22 ' B' ' 24' ' ' THR . 1.5 mp0 -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.478 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' B' ' 34' ' ' GLU . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 28' ' ' GLN . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.728 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.702 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' B' ' 56' ' ' LEU . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.564 ' ND2' HD21 ' A' ' 53' ' ' ASN . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.702 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 57' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.564 ' HG3' HD21 ' A' ' 56' ' ' LEU . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 66' ' ' ASP . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 66' ' ' ASP . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.457 HD21 ' NH2' ' B' ' 69' ' ' ARG . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 72' ' ' GLU . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.458 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.919 HG22 HE22 ' A' ' 28' ' ' GLN . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.919 HE22 HG22 ' A' ' 24' ' ' THR . 3.2 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.577 HD13 ' HG3' ' B' ' 28' ' ' GLN . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD21 HG23 ' B' ' 24' ' ' THR . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.619 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.763 HD21 HD21 ' B' ' 53' ' ' ASN . 5.9 m-80 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.962 HG22 HE22 ' B' ' 28' ' ' GLN . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.962 HE22 HG22 ' B' ' 24' ' ' THR . 2.9 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.504 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 28' ' ' GLN . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 49' ' ' MET . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.643 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.498 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.763 HD21 HD21 ' A' ' 53' ' ' ASN . 4.1 m-80 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.608 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.467 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' B' ' 75' ' ' LEU . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 80' ' ' LEU . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.414 0.626 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.898 ' NE2' HG22 ' A' ' 24' ' ' THR . 4.7 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.43 HD13 HE21 ' B' ' 28' ' ' GLN . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' B' ' 42' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' B' ' 49' ' ' MET . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 48' ' ' ARG . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.688 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.0 OUTLIER -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' O ' HD21 ' B' ' 63' ' ' LEU . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.425 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.796 ' HA ' HD23 ' B' ' 63' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.458 0.647 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.87 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.87 ' NE2' HG22 ' B' ' 24' ' ' THR . 3.7 mp0 -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.476 HG21 HE21 ' A' ' 28' ' ' GLN . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 48' ' ' ARG . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.688 ' ND2' HD21 ' A' ' 53' ' ' ASN . 6.6 m-80 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 56' ' ' LEU . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' B' ' 61' ' ' LYS . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.528 ' O ' HD21 ' A' ' 63' ' ' LEU . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' B' ' 58' ' ' LEU . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 67' ' ' ASP . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' B' ' 80' ' ' LEU . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.809 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.744 ' HD3' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.744 HD11 ' HD3' ' A' ' 32' ' ' LYS . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.801 HD11 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.757 ' SD ' HD11 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.428 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.603 ' ND2' HD21 ' B' ' 53' ' ' ASN . 1.9 m-80 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.44 ' N ' ' OE2' ' B' ' 25' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 1.066 HG22 HE22 ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 29' ' ' ASN . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 HG23 ' B' ' 24' ' ' THR . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 1.066 HE22 HG22 ' B' ' 24' ' ' THR . 1.4 mp0 -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' B' ' 25' ' ' GLU . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.742 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.57 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.809 HG21 HE22 ' A' ' 28' ' ' GLN . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 48' ' ' ARG . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.801 ' SD ' HD11 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.401 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.603 HD21 ' ND2' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG2' HD11 ' A' ' 56' ' ' LEU . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.483 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.514 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 66' ' ' ASP . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' B' ' 75' ' ' LEU . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 80' ' ' LEU . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 85' ' ' LEU . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.53 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' THR . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.91 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.553 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 ' NE2' ' B' ' 28' ' ' GLN . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.465 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.586 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.691 HD21 HD21 ' B' ' 53' ' ' ASN . 4.7 m-80 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' B' ' 57' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' B' ' 56' ' ' LEU . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' HE3' ' A' ' 61' ' ' LYS . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.679 ' HA ' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.573 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.427 HD13 HG23 ' A' ' 36' ' ' ILE . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.894 ' NE2' HD13 ' A' ' 36' ' ' ILE . 3.6 mm-40 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.91 HD13 ' NE2' ' A' ' 28' ' ' GLN . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . 0.457 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.691 HD21 HD21 ' A' ' 53' ' ' ASN . 2.8 m-80 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 57' ' ' ARG . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' A' ' 56' ' ' LEU . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 66' ' ' ASP . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.455 HD21 ' NH1' ' B' ' 69' ' ' ARG . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 72' ' ' GLU . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' B' ' 80' ' ' LEU . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 . . . . . 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.716 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' HG23 ' B' ' 36' ' ' ILE . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.716 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.719 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 32' ' ' LYS . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.605 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.679 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' B' ' 53' ' ' ASN . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.605 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.622 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' B' ' 66' ' ' ASP . 10.6 mt . . . . . 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.66 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' HB3' HG23 ' A' ' 36' ' ' ILE . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.696 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' B' ' 32' ' ' LYS . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.411 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.62 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.622 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.527 HD21 ' ND2' ' A' ' 53' ' ' ASN . 10.5 m-80 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.62 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.679 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.61 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.452 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' B' ' 75' ' ' LEU . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.57 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LEU . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.776 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.765 HG21 HE22 ' B' ' 28' ' ' GLN . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' B' ' 42' ' ' LEU . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.723 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.624 HD21 ' ND2' ' B' ' 53' ' ' ASN . 10.2 m-80 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' B' ' 57' ' ' ARG . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.763 ' CB ' HD13 ' B' ' 63' ' ' LEU . 12.7 mt . . . . . 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.581 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.482 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.765 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.513 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.739 ' HA ' HD12 ' B' ' 35' ' ' LEU . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' B' ' 32' ' ' LYS . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.776 HG21 HE22 ' A' ' 28' ' ' GLN . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 42' ' ' LEU . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.723 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.559 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.624 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.2 m-80 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.517 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 63' ' ' LEU . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.763 HD13 ' CB ' ' A' ' 63' ' ' LEU . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.468 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.583 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.583 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' B' ' 80' ' ' LEU . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.52 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 . . . . . 0 N--CA 1.518 2.944 0 CA-C-O 120.483 0.183 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.587 HG22 ' NE2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.901 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.9 HG21 HE22 ' B' ' 28' ' ' GLN . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.6 HD21 ' ND2' ' B' ' 53' ' ' ASN . 14.1 m-80 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.05 HD21 ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.98 ' HE ' HD21 ' B' ' 56' ' ' LEU . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 . . . . . 0 N--CA 1.517 2.914 0 CA-C-O 120.513 0.197 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.625 HG22 ' NE2' ' B' ' 28' ' ' GLN . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.461 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.461 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' B' ' 24' ' ' THR . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.9 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 25' ' ' GLU . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.458 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.568 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 32' ' ' LYS . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.901 HD13 ' NE2' ' A' ' 28' ' ' GLN . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.6 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.1 m-80 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.98 HD21 ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 1.05 ' HE ' HD21 ' A' ' 56' ' ' LEU . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.468 ' CG ' ' HE ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 67' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.486 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' B' ' 80' ' ' LEU . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 82' ' ' ALA . 1.3 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.005 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.005 HE22 HG22 ' A' ' 24' ' ' THR . 1.5 mp0 -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.517 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.676 HD13 ' HG3' ' B' ' 28' ' ' GLN . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD12 ' HE2' ' A' ' 37' ' ' LYS . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 46' ' ' LEU . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.575 HD21 ' ND2' ' B' ' 53' ' ' ASN . 14.7 m-80 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.573 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' B' ' 56' ' ' LEU . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' ASN . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt . . . . . 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 . . . . . 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 1.007 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 1.007 HE22 HG22 ' B' ' 24' ' ' THR . 2.4 mp0 -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.476 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.547 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' B' ' 35' ' ' LEU . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.633 ' HE2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.633 HD12 ' HE2' ' B' ' 37' ' ' LYS . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 46' ' ' LEU . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.494 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.481 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.468 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.575 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.7 m-80 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 55' ' ' ARG . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 56' ' ' LEU . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 53' ' ' ASN . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.626 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' O ' HG23 ' B' ' 70' ' ' VAL . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 66' ' ' ASP . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.598 ' HA ' HD12 ' B' ' 75' ' ' LEU . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' B' ' 72' ' ' GLU . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.543 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 80' ' ' LEU . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.669 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.669 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLU . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.505 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 32' ' ' LYS . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' B' ' 27' ' ' LEU . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.56 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' B' ' 63' ' ' LEU . 3.0 mt . . . . . 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' B' ' 25' ' ' GLU . 7.3 t60 . . . . . 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.724 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.724 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 25' ' ' GLU . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.473 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' B' ' 32' ' ' LYS . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.502 HG21 HE22 ' A' ' 28' ' ' GLN . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 46' ' ' LEU . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.56 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' B' ' 58' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 56' ' ' LEU . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.529 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.446 ' O ' HD12 ' B' ' 63' ' ' LEU . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 63' ' ' LEU . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.666 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.666 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' B' ' 80' ' ' LEU . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.92 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' B' ' 39' ' ' TYR . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.92 HE22 HG22 ' A' ' 24' ' ' THR . 3.5 mp0 -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' GLU . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.459 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 32' ' ' LYS . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD21 HG23 ' B' ' 24' ' ' THR . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.729 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.685 HD21 HD21 ' B' ' 53' ' ' ASN . 2.6 m-80 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HE ' ' HB3' ' A' ' 55' ' ' ARG . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt . . . . . 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.935 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 39' ' ' TYR . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.935 HE22 HG22 ' B' ' 24' ' ' THR . 2.8 mp0 -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' B' ' 25' ' ' GLU . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.483 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.421 ' H ' ' CD ' ' B' ' 34' ' ' GLU . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' B' ' 31' ' ' SER . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 32' ' ' LYS . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 28' ' ' GLN . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.495 HD21 HG23 ' A' ' 24' ' ' THR . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.467 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.729 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 46' ' ' LEU . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.685 HD21 HD21 ' A' ' 53' ' ' ASN . 2.5 m-80 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 63' ' ' LEU . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 80' ' ' LEU . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . 0.427 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 83' ' ' GLU . 18.3 mt . . . . . 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.807 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' B' ' 36' ' ' ILE . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.807 ' NE2' HG22 ' A' ' 24' ' ' THR . 3.4 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.51 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' O ' ' OH ' ' B' ' 39' ' ' TYR . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.622 HD13 ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.593 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.71 HD21 ' ND2' ' B' ' 53' ' ' ASN . 2.2 m-80 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.542 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 56' ' ' LEU . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt . . . . . 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 CA--C 1.492 -1.274 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.789 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' HG12 ' A' ' 36' ' ' ILE . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.789 ' NE2' HG22 ' B' ' 24' ' ' THR . 5.6 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.461 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 32' ' ' LYS . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.608 HD13 HE21 ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 49' ' ' MET . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . 0.608 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.509 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' A' ' 53' ' ' ASN . 6.4 m-80 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.509 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 62' ' ' ARG . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.522 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.522 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 66' ' ' ASP . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' B' ' 75' ' ' LEU . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.41 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ARG . . . . . 0.41 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 80' ' ' LEU . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.595 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.418 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 1 N-CA-C 102.273 -4.331 . . . . 0.0 102.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.26 144.72 19.45 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.302 -1.116 . . . . 0.0 109.473 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -54.79 97.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.08 -68.49 0.09 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 3' ' ' MET . . . 43.34 55.65 5.04 Favored Glycine 0 N--CA 1.508 3.468 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -46.55 137.83 6.4 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.76 -0.847 . . . . 0.0 109.958 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 67.39 3.67 Favored Glycine 0 C--N 1.283 -2.361 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.7 37.94 0.85 Allowed 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.284 -1.127 . . . . 0.0 109.226 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.92 51.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.139 -0.976 . . . . 0.0 110.47 -177.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -72.57 137.48 46.23 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.633 -1.292 . . . . 0.0 108.412 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -62.15 166.71 4.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' A' ' 12' ' ' GLN . 1.3 mp0 -59.91 113.32 2.23 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 121.718 -0.614 . . . . 0.0 109.706 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HE ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.16 63.04 1.27 Allowed 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' SER . 28.3 t70 -70.83 -7.86 48.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.349 -0.844 . . . . 0.0 109.37 -176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -59.37 88.11 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.519 ' N ' ' OE1' ' B' ' 33' ' ' GLN . 4.3 m -102.0 -0.42 33.71 Favored 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.7 mm-40 -62.26 75.97 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.837 . . . . 0.0 110.063 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -69.91 60.78 0.17 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' GLU . 43.5 m-85 -130.14 147.47 51.87 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -126.29 71.12 1.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.761 -0.587 . . . . 0.0 110.607 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' N ' ' OG1' ' A' ' 24' ' ' THR . 2.7 mpt_? -76.7 134.29 39.27 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 170.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 23.6 m-85 -32.98 -41.78 0.07 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.51 -5.43 49.1 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.076 -1.015 . . . . 0.0 111.916 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -49.39 -61.52 2.05 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 120.5 -1.375 . . . . 0.0 110.431 -177.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -45.28 -69.59 0.13 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.098 -1.001 . . . . 0.0 109.262 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' MET . 1.0 OUTLIER -44.03 -43.01 6.48 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.624 -0.672 . . . . 0.0 109.7 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 HG23 ' B' ' 36' ' ' ILE . 51.7 mt -60.26 -46.15 90.82 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.284 -0.885 . . . . 0.0 109.917 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.84 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.23 -31.12 60.74 Favored 'General case' 0 N--CA 1.5 2.044 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.901 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.13 -6.16 55.85 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.152 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.532 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -84.79 166.01 17.31 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.95 134.51 33.7 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.12 -42.53 6.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' B' ' 17' ' ' GLU . 9.3 mt-30 -52.48 -52.06 56.24 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.609 -0.682 . . . . 0.0 110.05 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 6.8 mm-40 -58.65 -55.17 38.58 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -176.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 32' ' ' LYS . 12.4 mt -47.88 -37.38 13.96 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HE22 ' B' ' 28' ' ' GLN . 67.7 mt -72.94 -47.58 48.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.1 -49.9 65.54 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.8 OUTLIER -64.0 -29.85 70.97 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 118.409 -1.316 . . . . 0.0 110.21 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.2 m-85 -62.68 -45.31 93.38 Favored 'General case' 0 C--O 1.195 -1.801 0 O-C-N 120.467 -1.395 . . . . 0.0 111.727 174.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.3 mt -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 118.001 -1.48 . . . . 0.0 108.355 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.26 -64.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.493 -0.755 . . . . 0.0 109.519 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.8 -41.92 74.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.788 -0.57 . . . . 0.0 110.015 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' TYR . 1.4 tm-20 -64.08 -55.81 19.43 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.08 -38.05 75.66 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.056 -1.057 . . . . 0.0 108.917 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -57.49 -61.61 2.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.502 HD11 ' HE2' ' B' ' 49' ' ' MET . 10.8 tp -55.07 -39.58 69.42 Favored 'General case' 0 C--O 1.191 -1.988 0 O-C-N 121.243 -0.91 . . . . 0.0 109.468 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -59.42 -49.17 78.83 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 122.037 0.922 . . . . 0.0 109.008 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -65.32 -38.53 90.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.539 ' HE2' HD11 ' B' ' 46' ' ' LEU . 4.7 mmm -73.06 -17.95 61.37 Favored 'General case' 0 C--O 1.172 -3.025 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.92 -46.97 32.21 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.606 -1.308 . . . . 0.0 107.9 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.35 -55.71 22.65 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -64.52 -48.76 73.94 Favored 'General case' 0 C--O 1.179 -2.629 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.022 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.635 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.1 m-80 -57.15 -45.65 83.4 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.331 -0.855 . . . . 0.0 109.799 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -51.27 -61.07 2.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -59.64 -65.62 0.65 Allowed 'General case' 0 C--O 1.19 -2.038 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 14.9 mt -34.61 -58.53 0.49 Allowed 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 122.99 0.516 . . . . 0.0 111.622 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -60.95 -38.24 85.17 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.859 -0.526 . . . . 0.0 109.611 -177.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.23 -44.84 62.31 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 108.966 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 55' ' ' ARG . 57.6 mt-10 -67.55 -62.38 1.45 Allowed 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . 8.5 p -39.02 -62.44 0.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.594 0.711 . . . . 0.0 110.509 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -38.02 58.67 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.427 -0.796 . . . . 0.0 109.073 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HE ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -89.62 16.47 7.76 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 16.0 mt -114.32 162.8 16.14 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.607 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -144.03 -109.96 0.7 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.72 86.24 0.08 OUTLIER Glycine 0 N--CA 1.497 2.704 0 N-CA-C 106.107 -2.797 . . . . 0.0 106.107 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' B' ' 66' ' ' ASP . 0.2 OUTLIER -148.9 -5.23 0.41 Allowed 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.809 -0.818 . . . . 0.0 109.152 -174.063 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 1.4 p30 -48.55 -30.4 5.24 Favored 'General case' 0 N--CA 1.512 2.629 0 O-C-N 121.473 -0.767 . . . . 0.0 111.482 -177.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -41.11 58.97 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -47.7 85.21 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 173.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' B' ' 73' ' ' LEU . 68.9 t -49.02 -54.56 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 13.5 ttm105 -57.38 -47.71 80.95 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.448 -176.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HA ' HD12 ' A' ' 75' ' ' LEU . 12.0 mt-10 -58.62 -38.99 79.2 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.249 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.622 HD11 HG13 ' B' ' 70' ' ' VAL . 59.2 mt -69.07 -39.9 78.81 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' B' ' 73' ' ' LEU . 1.0 OUTLIER -63.53 -43.96 95.6 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 177.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 72' ' ' GLU . 19.2 mt -62.38 -43.23 99.32 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -47.65 84.97 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD23 HD12 ' B' ' 80' ' ' LEU . 27.8 mt -59.01 -51.75 68.71 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -29.45 58.4 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 119.726 -0.79 . . . . 0.0 109.005 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.597 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -73.69 -51.2 17.42 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD12 HD23 ' B' ' 77' ' ' LEU . 11.9 mt -59.03 -38.95 80.51 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.073 -1.017 . . . . 0.0 108.54 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -61.74 -34.28 75.55 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.618 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -56.77 -52.0 66.72 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' A' ' 79' ' ' ARG . 1.5 mp0 -64.78 -48.0 76.08 Favored 'General case' 0 C--O 1.196 -1.735 0 O-C-N 121.257 -0.902 . . . . 0.0 109.111 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.41 HD21 ' ND2' ' B' ' 84' ' ' ASN . 8.9 m-80 -49.07 -49.17 42.87 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.78 -57.0 14.7 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.618 HE21 ' C ' ' A' ' 82' ' ' ALA . 29.5 mt-30 -50.69 -49.02 58.36 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.639 0.733 . . . . 0.0 110.168 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.9 mt -74.62 -49.82 20.17 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.19 -0.944 . . . . 0.0 110.34 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -60.54 -47.6 85.47 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.91 -42.41 72.17 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 118.579 -1.248 . . . . 0.0 108.964 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -67.99 -48.3 66.17 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.605 -0.685 . . . . 0.0 109.588 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.4 t-20 -53.53 -51.18 63.69 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.523 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 12.7 mt-10 -55.37 -44.11 75.76 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.674 173.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD23 ' NE2' ' A' ' 97' ' ' GLN . 11.5 mt -59.87 -27.93 67.11 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.015 0.825 . . . . 0.0 109.746 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 101' ' ' PRO . 46.9 t60 -85.94 -34.47 20.88 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 30.9 mtm105 -85.44 -58.96 2.46 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.523 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 33.9 mt-30 -48.24 -71.64 0.06 Allowed 'General case' 0 N--CA 1.505 2.321 0 CA-C-O 121.566 0.698 . . . . 0.0 110.607 -172.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.694 ' H ' ' CD ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -69.61 100.03 1.39 Allowed 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.665 0.745 . . . . 0.0 109.346 -174.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.31 156.3 34.77 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.612 HH12 ' C ' ' B' ' 107' ' ' ASP . 14.2 mmm180 45.34 29.08 0.52 Allowed 'General case' 0 N--CA 1.508 2.436 0 CA-C-O 121.012 0.434 . . . . 0.0 110.362 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.657 ' H ' ' CD ' ' A' ' 101' ' ' PRO . . . -126.12 -25.66 0.04 OUTLIER Pre-proline 0 C--N 1.286 -2.176 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.657 ' CD ' ' H ' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -27.19 125.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.315 2.677 . . . . 0.0 113.631 -174.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.6 mt -24.37 117.83 0.05 OUTLIER 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 59.38 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.59 0.709 . . . . 0.0 110.076 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' LEU . 29.7 mmtp -63.0 167.96 4.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' NH1' ' B' ' 99' ' ' ARG . 2.1 m-85 -71.21 56.06 0.21 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . -74.91 -48.23 12.21 Favored Glycine 0 C--N 1.29 -2.015 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' C ' HH12 ' B' ' 99' ' ' ARG . 2.8 p-10 . . . . . 0 C--O 1.196 -1.722 0 O-C-N 121.989 -0.712 . . . . 0.0 109.604 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 1 N-CA-C 102.603 -4.199 . . . . 0.0 102.603 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.44 156.65 18.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.138 -1.213 . . . . 0.0 108.968 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -66.33 80.95 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . 70.44 -68.67 0.2 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -176.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.33 -49.33 0.13 Allowed Glycine 0 N--CA 1.507 3.392 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 4' ' ' ALA . 30.8 t70 61.61 139.55 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.447 0 C-N-CA 124.267 1.027 . . . . 0.0 111.096 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.9 73.08 2.01 Favored Glycine 0 C--N 1.284 -2.31 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.31 35.18 1.65 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 0.4 OUTLIER -74.2 54.12 0.53 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.224 -0.923 . . . . 0.0 109.362 -178.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -78.8 140.04 38.29 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.968 -1.082 . . . . 0.0 108.265 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.629 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -63.79 163.9 10.93 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.447 0.641 . . . . 0.0 109.932 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' B' ' 12' ' ' GLN . 1.7 mp0 -58.7 112.39 1.6 Allowed 'General case' 0 C--N 1.282 -2.362 0 O-C-N 121.569 -0.707 . . . . 0.0 109.267 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.42 ' HE ' ' C ' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -75.72 67.42 2.16 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.82 17.55 1.15 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.246 -0.908 . . . . 0.0 110.319 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -76.55 76.13 3.26 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 121.242 -0.911 . . . . 0.0 108.612 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.461 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -82.54 0.1 44.22 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.644 -0.66 . . . . 0.0 110.964 -178.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 33' ' ' GLN . 14.6 mm-40 -66.01 71.3 0.06 Allowed 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.09 -1.006 . . . . 0.0 110.319 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.2 OUTLIER -68.85 55.77 0.09 Allowed 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' B' ' 17' ' ' GLU . 35.7 m-85 -127.8 147.32 50.42 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -123.74 72.71 1.16 Allowed 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 120.997 0.427 . . . . 0.0 110.718 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' B' ' 24' ' ' THR . 3.0 mpt_? -77.78 134.52 38.02 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 103.383 -2.821 . . . . 0.0 103.383 169.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 21' ' ' ARG . 13.8 m-85 -34.74 -38.0 0.07 Allowed 'General case' 0 N--CA 1.509 2.498 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' B' ' 27' ' ' LEU . 3.8 t60 -96.08 -5.65 40.4 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.843 -1.161 . . . . 0.0 111.39 -177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -50.17 -61.7 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.608 -1.308 . . . . 0.0 110.407 -178.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.519 ' C ' HD22 ' B' ' 29' ' ' ASN . 7.6 mm-40 -46.22 -69.54 0.13 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -44.53 -41.48 6.48 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.476 -0.765 . . . . 0.0 109.959 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD13 HG23 ' A' ' 36' ' ' ILE . 37.1 mt -60.7 -45.41 94.32 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.117 -0.989 . . . . 0.0 109.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.854 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.63 -27.56 60.5 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.603 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.519 HD22 ' C ' ' B' ' 25' ' ' GLU . 33.1 m-80 -82.1 -6.23 59.02 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.414 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.587 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.8 mtm -85.76 166.17 16.31 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.39 137.42 32.34 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -47.28 -43.77 22.63 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.519 ' OE1' ' N ' ' A' ' 16' ' ' SER . 10.1 mt-30 -50.4 -51.67 44.3 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.83 -54.44 45.13 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 32' ' ' LYS . 11.2 mt -49.79 -37.85 31.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.84 HG21 HE22 ' A' ' 28' ' ' GLN . 67.4 mt -71.58 -48.26 53.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 5.6 pt-20 -69.31 -25.38 64.2 Favored 'General case' 0 C--O 1.2 -1.546 0 C-N-CA 117.889 -1.525 . . . . 0.0 110.569 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.646 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.0 m-85 -63.99 -44.34 92.99 Favored 'General case' 0 C--O 1.19 -2.072 0 O-C-N 120.494 -1.379 . . . . 0.0 111.011 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' CZ ' ' A' ' 21' ' ' ARG . 2.4 mt -59.95 -35.21 74.47 Favored 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.449 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.17 -63.09 1.5 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.51 -0.744 . . . . 0.0 109.559 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -42.98 75.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.601 -0.687 . . . . 0.0 109.947 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.548 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 6.2 tm-20 -63.47 -54.52 35.09 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.548 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.3 mmtm -61.34 -37.01 81.76 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.841 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 26.9 m -57.14 -59.3 5.29 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 49' ' ' MET . 10.8 tp -57.16 -36.1 70.36 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.452 -0.78 . . . . 0.0 108.977 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.487 ' OG ' ' NZ ' ' B' ' 44' ' ' LYS . 4.3 m -57.74 -55.86 29.44 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.582 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.4 mmm -66.58 -22.0 66.14 Favored 'General case' 0 C--O 1.174 -2.883 0 O-C-N 121.724 -0.61 . . . . 0.0 109.399 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.74 -47.77 44.15 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 120.797 -1.19 . . . . 0.0 108.261 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.6 -51.77 64.28 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.473 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 26.6 mt-10 -67.76 -50.65 56.0 Favored 'General case' 0 C--O 1.183 -2.4 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.635 ' ND2' HD21 ' A' ' 53' ' ' ASN . 3.7 m-80 -50.32 -46.48 55.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.27 -0.894 . . . . 0.0 109.123 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -53.35 -61.99 1.95 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -59.49 -63.8 1.17 Allowed 'General case' 0 C--O 1.181 -2.547 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 56' ' ' LEU . 15.2 mt -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 123.058 0.543 . . . . 0.0 111.837 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.1 OUTLIER -61.75 -42.4 98.93 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.92 -44.1 77.68 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.387 -0.821 . . . . 0.0 109.065 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' B' ' 55' ' ' ARG . 52.7 mt-10 -68.3 -62.7 1.28 Allowed 'General case' 0 C--N 1.279 -2.485 0 O-C-N 121.875 -0.515 . . . . 0.0 109.851 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.424 ' HA ' HD12 ' B' ' 63' ' ' LEU . 11.6 p -40.14 -62.44 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.584 0.707 . . . . 0.0 110.206 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' B' ' 62' ' ' ARG . 0.2 OUTLIER -50.81 -41.91 57.81 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.516 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -85.93 15.49 4.91 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.899 -0.501 . . . . 0.0 109.658 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.673 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.4 mt -112.85 163.75 14.24 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.888 0.851 . . . . 0.0 109.554 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -144.26 -112.97 0.86 Allowed Glycine 0 C--N 1.282 -2.445 0 N-CA-C 107.458 -2.257 . . . . 0.0 107.458 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.64 85.36 0.06 OUTLIER Glycine 0 N--CA 1.5 2.903 0 N-CA-C 106.63 -2.588 . . . . 0.0 106.63 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.496 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -147.48 -7.17 0.45 Allowed 'General case' 0 C--N 1.285 -2.231 0 O-C-N 121.869 -0.783 . . . . 0.0 109.309 -173.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -46.75 -30.91 2.64 Favored 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.526 -0.734 . . . . 0.0 111.222 -176.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.52 -39.63 45.45 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' A' ' 74' ' ' GLU . 1.1 tpt85 -60.06 -48.18 82.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.622 HG13 HD11 ' A' ' 73' ' ' LEU . 73.8 t -49.4 -54.9 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' B' ' 71' ' ' ARG . 11.7 ttm105 -56.57 -47.86 78.6 Favored 'General case' 0 C--N 1.28 -2.43 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.76 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 75' ' ' LEU . 27.7 mt-10 -58.68 -38.89 79.2 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.166 -1.013 . . . . 0.0 108.35 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.606 ' CD1' HG13 ' A' ' 70' ' ' VAL . 51.6 mt -69.65 -39.38 77.13 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.238 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -63.56 -46.03 87.77 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 177.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 72' ' ' GLU . 13.5 mt -59.95 -42.63 94.48 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -48.94 79.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 80' ' ' LEU . 24.2 mt -58.77 -49.71 76.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 108.907 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.32 -37.72 67.76 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -64.74 -54.03 37.76 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 77' ' ' LEU . 11.0 mt -57.68 -38.5 75.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.97 -1.081 . . . . 0.0 109.037 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -63.01 -33.09 74.69 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.28 -49.17 75.01 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.423 ' OE1' ' NE ' ' B' ' 79' ' ' ARG . 1.8 mp0 -68.61 -47.6 66.28 Favored 'General case' 0 C--O 1.193 -1.891 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.464 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.419 ' ND2' HD22 ' A' ' 80' ' ' LEU . 9.9 m-80 -48.91 -46.76 43.43 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' B' ' 89' ' ' THR . 2.1 tp -59.42 -57.64 12.09 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.538 HE21 ' C ' ' B' ' 82' ' ' ALA . 29.6 mt-30 -51.2 -46.98 62.34 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.81 0.814 . . . . 0.0 110.513 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.6 mt -76.28 -49.34 17.27 Favored 'General case' 0 C--N 1.281 -2.383 0 O-C-N 121.048 -1.033 . . . . 0.0 110.444 -174.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.46 -45.36 94.59 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.6 OUTLIER -55.95 -42.88 76.86 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.928 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -69.77 -44.62 69.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.539 -0.725 . . . . 0.0 109.509 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.19 -50.67 70.55 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.476 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 8.8 mt-10 -54.97 -46.06 75.01 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.65 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.519 HD23 ' NE2' ' B' ' 97' ' ' GLN . 11.2 mt -58.06 -26.04 62.01 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.959 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' B' ' 101' ' ' PRO . 35.2 t60 -86.01 -36.97 19.43 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -85.41 -49.22 8.29 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.476 ' HB2' ' OE1' ' B' ' 97' ' ' GLN . 32.2 mt-30 -58.41 -64.04 1.06 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.54 -0.725 . . . . 0.0 110.413 -171.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.67 ' H ' ' CD ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -79.63 96.33 6.15 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-O 122.007 0.908 . . . . 0.0 109.313 -175.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 154.45 37.68 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 121.736 -0.602 . . . . 0.0 109.583 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.543 HH12 ' C ' ' A' ' 107' ' ' ASP . 14.0 mmm180 46.42 33.04 1.76 Allowed 'General case' 0 N--CA 1.507 2.415 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.732 ' H ' ' HD2' ' B' ' 101' ' ' PRO . . . -131.54 -28.69 0.03 OUTLIER Pre-proline 0 C--N 1.294 -1.837 0 CA-C-O 118.306 -0.854 . . . . 0.0 113.08 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -27.8 130.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.894 2.396 . . . . 0.0 113.649 -175.002 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' B' ' 104' ' ' LYS . 15.7 mt -29.26 116.22 0.11 Allowed 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.53 60.15 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.753 0.787 . . . . 0.0 109.697 -177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' B' ' 102' ' ' LEU . 29.8 mmtp -63.09 166.68 5.66 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.555 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 1.3 m-85 -68.89 53.38 0.09 Allowed 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -75.84 -43.88 21.4 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.612 ' C ' HH12 ' A' ' 99' ' ' ARG . 2.3 p-10 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 105.205 -3.158 . . . . 0.0 105.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.68 19.71 0.27 Allowed 'General case' 0 N--CA 1.509 2.491 0 O-C-N 120.793 -1.416 . . . . 0.0 111.432 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mtt -81.07 59.08 3.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.12 -51.11 22.96 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.355 -0.84 . . . . 0.0 109.622 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.22 82.78 0.07 OUTLIER Glycine 0 C--N 1.28 -2.531 0 N-CA-C 108.043 -2.023 . . . . 0.0 108.043 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.3 167.43 21.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.52 -0.988 . . . . 0.0 108.695 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.74 128.5 6.3 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.85 132.88 38.19 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -58.4 151.91 18.92 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -77.53 131.74 38.03 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.114 -0.991 . . . . 0.0 108.561 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -54.24 97.36 0.02 OUTLIER 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.704 -0.623 . . . . 0.0 110.72 -177.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' NE2' ' B' ' 12' ' ' GLN . 4.2 mt-30 -69.8 141.73 53.29 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.921 -1.112 . . . . 0.0 108.343 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.98 68.91 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.453 -0.779 . . . . 0.0 109.377 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -107.2 67.53 0.7 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -113.19 86.09 2.31 Favored 'General case' 0 C--N 1.29 -1.994 0 O-C-N 121.04 -1.038 . . . . 0.0 110.696 -174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' THR . 5.3 m -107.89 -2.85 19.46 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 173.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 1.9 mm-40 -66.79 57.23 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -175.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -150.93 41.2 0.75 Allowed 'General case' 0 C--N 1.284 -2.242 0 O-C-N 121.131 -0.981 . . . . 0.0 110.511 -176.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.63 140.89 52.07 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 20.3 mt-10 -145.88 80.18 1.57 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.764 -0.585 . . . . 0.0 110.413 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HB2' ' HB ' ' A' ' 24' ' ' THR . 74.4 mmt-85 -145.05 126.0 14.47 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.614 ' O ' ' N ' ' A' ' 24' ' ' THR . 49.8 p90 -52.82 162.4 0.61 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 62.21 -62.72 0.1 Allowed 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.614 ' N ' ' O ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -49.8 -51.58 38.46 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 173.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' ASN . 6.5 tp10 -40.49 -67.3 0.25 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -43.06 13.74 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.659 -0.65 . . . . 0.0 110.064 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' HB3' HG12 ' B' ' 36' ' ' ILE . 19.8 mt -62.77 -46.24 88.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.588 -0.695 . . . . 0.0 109.248 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.875 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -74.79 -21.89 59.06 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 118.817 -1.153 . . . . 0.0 109.253 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.5 m-80 -87.27 -1.96 58.28 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.9 156.67 20.42 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.65 133.3 34.24 Favored 'General case' 0 C--N 1.28 -2.417 0 O-C-N 121.318 -0.864 . . . . 0.0 109.033 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 0.0 OUTLIER -38.46 -49.19 1.46 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.242 -178.067 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -54.97 -45.72 74.98 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.605 -0.684 . . . . 0.0 110.253 -177.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.02 -57.95 10.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -50.25 -50.22 50.75 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.598 1.189 . . . . 0.0 108.632 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' NE2' ' B' ' 28' ' ' GLN . 40.4 mt -54.8 -52.54 41.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.455 0 O-C-N 121.244 -0.91 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 4.6 mmtp -55.58 -48.73 74.34 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.118 -0.989 . . . . 0.0 110.285 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.95 -28.93 68.68 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 118.134 -1.426 . . . . 0.0 109.79 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.4 m-85 -57.39 -47.35 81.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.137 -0.977 . . . . 0.0 109.429 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 2.7 mt -57.75 -36.26 71.84 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 5.4 mm-40 -76.74 -61.97 1.79 Allowed 'General case' 0 C--N 1.288 -2.107 0 O-C-N 121.267 -0.896 . . . . 0.0 110.238 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 42' ' ' LEU . 3.6 tp -52.1 -42.91 63.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.299 -0.876 . . . . 0.0 109.827 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -60.43 -50.3 74.12 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 41' ' ' GLU . 3.1 mtmp? -57.2 -44.33 83.57 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.5 m -56.64 -60.72 3.13 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.5 -0.75 . . . . 0.0 109.248 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.4 tp -59.29 -33.17 70.75 Favored 'General case' 0 C--O 1.178 -2.697 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.432 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -66.49 -52.81 42.07 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 120.897 -1.127 . . . . 0.0 109.049 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.24 -48.11 82.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.749 ' SD ' HD11 ' B' ' 46' ' ' LEU . 83.1 mtp -68.04 -16.9 64.23 Favored 'General case' 0 C--O 1.17 -3.108 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.52 -45.4 53.93 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.229 -1.544 . . . . 0.0 107.568 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.18 -56.58 20.35 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' B' ' 57' ' ' ARG . 1.2 mt-10 -59.7 -34.57 73.07 Favored 'General case' 0 C--O 1.191 -2.024 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.23 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.61 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.9 m-80 -70.9 -40.49 72.15 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -58.79 -53.1 62.24 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' LEU . 7.9 mmm180 -65.95 -64.71 0.8 Allowed 'General case' 0 C--O 1.193 -1.892 0 C-N-CA 120.354 -0.538 . . . . 0.0 109.643 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' B' ' 56' ' ' LEU . 13.4 mt -34.47 -55.4 0.53 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.746 -0.596 . . . . 0.0 111.388 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -60.09 -51.33 70.08 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.135 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.74 -45.73 93.17 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.596 -0.69 . . . . 0.0 109.744 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.34 -52.49 63.43 Favored 'General case' 0 C--N 1.275 -2.65 0 O-C-N 121.358 -0.839 . . . . 0.0 108.789 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 63' ' ' LEU . 16.0 m -55.42 -41.26 72.52 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 122.138 -0.351 . . . . 0.0 110.556 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -69.31 -43.54 73.58 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 118.197 -1.401 . . . . 0.0 107.603 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -77.88 6.32 7.89 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 60' ' ' SER . 6.1 mt -91.7 170.24 10.07 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 171.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.77 -143.24 5.02 Favored Glycine 0 C--N 1.271 -3.071 0 N-CA-C 108.472 -1.851 . . . . 0.0 108.472 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.18 61.61 0.03 OUTLIER Glycine 0 C--N 1.272 -3.005 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB3' HG21 ' B' ' 70' ' ' VAL . 4.6 m-20 -117.46 -6.61 11.2 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.761 -0.846 . . . . 0.0 110.41 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -30.3 1.28 Allowed 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.45 59.44 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 69' ' ' ARG . 7.8 tpt180 -61.01 -43.28 99.12 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 174.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' B' ' 73' ' ' LEU . 98.7 t -51.63 -56.69 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -56.33 -40.67 74.81 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.942 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.737 ' HA ' HD12 ' A' ' 75' ' ' LEU . 39.1 mt-10 -59.22 -44.02 92.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.594 HD11 HG13 ' B' ' 70' ' ' VAL . 74.2 mt -67.14 -38.82 86.17 Favored 'General case' 0 C--N 1.285 -2.229 0 C-N-CA 119.623 -0.831 . . . . 0.0 108.912 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.85 -42.56 98.05 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.415 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 72' ' ' GLU . 11.4 mt -62.47 -42.61 99.6 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.22 -41.76 98.69 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 80' ' ' LEU . 33.7 mt -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -59.96 -41.64 92.34 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 tpm_? -60.81 -58.63 7.64 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD22 ' ND2' ' B' ' 84' ' ' ASN . 10.4 mt -55.28 -43.95 75.22 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.563 ' HG3' HD11 ' B' ' 80' ' ' LEU . 53.4 mtp180 -60.3 -35.83 76.49 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -60.47 -51.3 70.07 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -49.1 78.7 Favored 'General case' 0 C--O 1.19 -2.048 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.606 ' ND2' HD22 ' B' ' 80' ' ' LEU . 8.2 m-80 -52.81 -49.37 65.81 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.75 -53.64 55.87 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.84 52.32 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.48 -0.763 . . . . 0.0 109.668 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 15.4 mt -62.48 -50.46 71.35 Favored 'General case' 0 C--N 1.282 -2.348 0 O-C-N 121.759 -0.588 . . . . 0.0 110.11 -176.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -47.77 73.12 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.257 -0.902 . . . . 0.0 109.108 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.12 -47.3 81.44 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.787 -1.196 . . . . 0.0 108.702 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.23 -40.49 97.61 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.339 -0.85 . . . . 0.0 109.131 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.499 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 12.1 t-20 -57.79 -50.07 74.49 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -32.9 74.65 Favored 'General case' 0 C--N 1.28 -2.452 0 O-C-N 121.604 -0.685 . . . . 0.0 109.699 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 14.5 mt -64.04 -55.25 23.55 Favored 'General case' 0 CA--C 1.477 -1.844 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' B' ' 94' ' ' HIS . 73.6 t60 -56.75 -45.56 81.96 Favored 'General case' 0 C--N 1.281 -2.395 0 C-N-CA 117.938 -1.505 . . . . 0.0 108.887 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -60.48 -62.68 1.69 Allowed 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.603 0.716 . . . . 0.0 109.393 -179.453 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.562 ' HB2' HE22 ' A' ' 97' ' ' GLN . 21.1 mt-30 -54.25 -32.79 56.96 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 121.589 0.709 . . . . 0.0 109.135 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.562 HE22 ' HB2' ' A' ' 96' ' ' GLN . 2.6 mp0 -95.84 12.83 28.76 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.395 -0.815 . . . . 0.0 109.653 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 106' ' ' GLY . 1.0 OUTLIER -131.01 -52.3 1.04 Allowed 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.484 ' NH1' ' OE1' ' A' ' 98' ' ' GLU . 16.7 mmm180 -72.06 55.33 0.3 Allowed 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.661 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -175.47 -65.9 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 120.997 -1.064 . . . . 0.0 110.379 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.661 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.2 Cg_exo -36.03 117.17 0.15 Allowed 'Trans proline' 0 N--CA 1.484 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 113.043 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt 4.1 -58.1 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.544 0 C-N-CA 125.758 1.623 . . . . 0.0 114.194 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 101' ' ' PRO . 1.5 m -154.7 22.6 0.46 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.081 -1.012 . . . . 0.0 109.568 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -78.94 2.58 19.75 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.758 -1.214 . . . . 0.0 109.862 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 140.62 21.5 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.539 ' H ' ' CD ' ' A' ' 98' ' ' GLU . . . -52.02 -37.97 46.36 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.188 -2.161 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.498 0 N-CA-C 105.985 -2.846 . . . . 0.0 105.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 53.74 8.92 0.16 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.754 -1.439 . . . . 0.0 111.438 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mtt -72.18 64.51 0.55 Allowed 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.849 -1.157 . . . . 0.0 107.912 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -76.82 -52.77 8.9 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.518 -0.739 . . . . 0.0 109.415 -175.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.77 73.52 0.07 OUTLIER Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.51 -1.836 . . . . 0.0 108.51 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -178.99 1.23 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.943 -0.74 . . . . 0.0 109.242 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.2 128.65 3.93 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.94 132.92 39.31 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.62 150.73 22.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.209 -0.932 . . . . 0.0 109.911 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -72.52 143.51 48.33 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 108.787 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.538 ' N ' HD12 ' B' ' 11' ' ' LEU . 0.1 OUTLIER -66.53 91.74 0.19 Allowed 'General case' 0 C--N 1.276 -2.6 0 CA-C-O 121.248 0.547 . . . . 0.0 110.539 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' NE2' ' A' ' 12' ' ' GLN . 4.6 mm-40 -64.86 137.67 57.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.97 83.38 0.65 Allowed 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -123.61 60.54 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -106.75 75.73 1.07 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.104 -0.997 . . . . 0.0 110.604 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.505 ' O ' ' N ' ' B' ' 18' ' ' THR . 2.1 m -92.09 -4.46 54.32 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 172.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' B' ' 17' ' ' GLU . 1.2 mm-40 -65.41 58.28 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.505 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -150.27 36.08 0.66 Allowed 'General case' 0 C--N 1.291 -1.958 0 O-C-N 120.973 -1.079 . . . . 0.0 110.285 -177.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -122.03 137.68 54.72 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.111 -0.993 . . . . 0.0 108.553 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.529 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 12.7 mt-10 -146.53 84.72 1.63 Allowed 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 83.4 mmt-85 -148.53 129.67 14.54 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.612 ' O ' ' N ' ' B' ' 24' ' ' THR . 46.8 p90 -56.76 162.53 2.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.294 -0.879 . . . . 0.0 108.903 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 61.57 -64.84 0.07 Allowed 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.612 ' N ' ' O ' ' B' ' 22' ' ' TYR . 0.2 OUTLIER -46.89 -51.11 17.52 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 29' ' ' ASN . 4.1 tp10 -39.45 -68.33 0.17 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -43.29 17.27 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.346 0.593 . . . . 0.0 109.771 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.517 ' HB3' HG12 ' A' ' 36' ' ' ILE . 30.2 mt -60.73 -45.92 92.4 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.932 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.04 -22.54 52.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.862 -1.149 . . . . 0.0 109.638 179.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 25' ' ' GLU . 3.8 m-80 -85.62 -3.66 58.94 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.5 158.13 23.3 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.65 135.64 33.4 Favored 'General case' 0 C--N 1.275 -2.638 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -42.47 -47.13 4.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.879 -0.513 . . . . 0.0 110.25 -176.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.554 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.2 OUTLIER -55.46 -47.04 76.7 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.413 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 34' ' ' GLU . 24.1 mt-10 -58.71 -54.79 43.05 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 32' ' ' LYS . 4.9 mt -52.84 -49.37 65.88 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.463 1.125 . . . . 0.0 108.401 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.875 HD13 ' NE2' ' A' ' 28' ' ' GLN . 37.2 mt -55.94 -52.1 53.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 121.078 -1.013 . . . . 0.0 109.979 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 33' ' ' GLN . 5.0 mmtp -53.72 -48.05 69.98 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.934 -1.104 . . . . 0.0 110.395 -178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.72 -33.22 74.46 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.622 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.431 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 6.8 m-85 -52.38 -48.7 65.46 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.919 -1.113 . . . . 0.0 109.596 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 2.5 mt -57.66 -36.02 71.34 Favored 'General case' 0 C--N 1.297 -1.71 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.43 -61.02 2.14 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 42' ' ' LEU . 1.8 tp -54.36 -42.2 70.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.288 -0.883 . . . . 0.0 109.942 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -61.09 -49.18 78.34 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 3.1 mtmp? -58.39 -45.72 87.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.403 -0.811 . . . . 0.0 108.883 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -56.42 -59.22 5.29 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.749 HD11 ' SD ' ' A' ' 49' ' ' MET . 20.2 tp -59.14 -33.4 70.84 Favored 'General case' 0 C--O 1.174 -2.91 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.483 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -67.47 -51.71 48.12 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 120.67 -1.269 . . . . 0.0 109.01 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 3.9 mtp-105 -57.91 -48.06 81.0 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.0 mtp -68.82 -16.64 63.84 Favored 'General case' 0 C--O 1.172 -3.013 0 O-C-N 121.958 -0.464 . . . . 0.0 110.045 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.64 -41.37 60.49 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 119.909 -1.745 . . . . 0.0 107.097 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.32 -54.35 38.45 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -33.79 73.52 Favored 'General case' 0 C--O 1.186 -2.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.61 ' ND2' HD21 ' A' ' 53' ' ' ASN . 1.4 m-80 -73.15 -41.97 63.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -56.42 -54.76 41.82 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.442 HH12 ' CG ' ' B' ' 59' ' ' GLU . 7.8 mmm180 -63.85 -63.2 1.23 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.551 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 56' ' ' LEU . 12.4 mt -34.96 -61.67 0.4 Allowed 'General case' 0 C--O 1.198 -1.655 0 CA-C-O 120.631 0.253 . . . . 0.0 110.912 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 52' ' ' GLU . 8.4 mtt85 -54.58 -46.6 73.75 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.223 0.535 . . . . 0.0 109.598 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.35 -44.4 91.57 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.43 -0.794 . . . . 0.0 109.678 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.442 ' CG ' HH12 ' B' ' 55' ' ' ARG . 6.4 mt-10 -64.77 -51.27 63.17 Favored 'General case' 0 C--N 1.274 -2.696 0 O-C-N 121.256 -0.903 . . . . 0.0 109.088 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.703 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.9 m -54.65 -42.46 71.32 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.942 -0.474 . . . . 0.0 110.516 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.45 -43.4 73.38 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 117.906 -1.518 . . . . 0.0 107.575 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -78.63 10.96 2.79 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' B' ' 60' ' ' SER . 5.6 mt -95.58 168.12 10.88 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.495 -1.378 . . . . 0.0 107.975 173.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.8 -143.51 5.19 Favored Glycine 0 C--N 1.283 -2.364 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.76 49.27 0.03 OUTLIER Glycine 0 C--N 1.276 -2.792 0 N-CA-C 104.57 -3.412 . . . . 0.0 104.57 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -102.49 -5.11 24.39 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.31 -0.945 . . . . 0.0 109.231 -172.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.7 OUTLIER -49.45 -31.33 9.62 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.874 -0.516 . . . . 0.0 111.552 -177.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.28 -40.15 59.0 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.457 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 17.0 tpt180 -60.78 -44.77 96.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.594 HG13 HD11 ' A' ' 73' ' ' LEU . 89.8 t -49.22 -53.34 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 176.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -57.17 -42.5 81.24 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.099 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.701 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.6 mt-10 -59.57 -43.23 93.66 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.546 ' CD1' HG13 ' A' ' 70' ' ' VAL . 78.0 mt -67.81 -38.07 82.79 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 119.463 -0.895 . . . . 0.0 108.858 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -61.96 -43.27 99.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' B' ' 72' ' ' GLU . 10.4 mt -61.93 -40.23 94.8 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.95 -43.69 98.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.559 HD23 HD12 ' A' ' 80' ' ' LEU . 30.0 mt -64.34 -38.45 91.08 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.104 -0.998 . . . . 0.0 108.429 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -60.34 -47.37 86.32 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 2.8 tpm_? -55.09 -55.3 32.64 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 77' ' ' LEU . 9.5 mt -57.44 -43.63 84.04 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' A' ' 80' ' ' LEU . 38.3 mtp180 -61.33 -36.35 79.9 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.41 -51.42 69.55 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' B' ' 79' ' ' ARG . 2.6 mm-40 -58.05 -50.24 74.14 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.561 ' ND2' HD22 ' A' ' 80' ' ' LEU . 5.8 m-80 -51.77 -50.28 60.99 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.48 -51.77 68.09 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.427 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -57.61 -55.0 40.44 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.684 0.754 . . . . 0.0 109.321 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 16.1 mt -61.57 -51.81 67.02 Favored 'General case' 0 C--N 1.283 -2.288 0 O-C-N 121.663 -0.648 . . . . 0.0 110.246 -176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -50.31 68.67 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -54.63 -47.76 73.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.467 -1.396 . . . . 0.0 108.811 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.11 -40.0 94.4 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.177 -0.952 . . . . 0.0 109.503 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.594 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 13.6 t-20 -61.53 -48.47 80.89 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' NH1' ' B' ' 95' ' ' ARG . 0.5 OUTLIER -63.84 -35.37 80.41 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 13.4 mt -64.42 -56.32 15.08 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 74.7 t60 -55.59 -43.89 76.44 Favored 'General case' 0 C--N 1.281 -2.381 0 C-N-CA 117.936 -1.506 . . . . 0.0 109.211 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -61.17 -62.45 1.84 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.167 -0.958 . . . . 0.0 108.963 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' B' ' 95' ' ' ARG . 17.4 mt-30 -55.63 -34.26 64.75 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.474 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.5 OUTLIER -93.65 11.51 28.66 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.552 -0.718 . . . . 0.0 109.771 -178.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' B' ' 106' ' ' GLY . 0.9 OUTLIER -128.9 -52.11 1.22 Allowed 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 17.1 mmm180 -72.44 53.11 0.29 Allowed 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.651 -0.656 . . . . 0.0 110.107 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.646 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -173.26 -63.99 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.177 -0.952 . . . . 0.0 110.55 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.646 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 3.6 Cg_exo -37.13 86.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 124.004 3.136 . . . . 0.0 115.575 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 77.0 mt 40.27 -60.8 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.562 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.63 ' N ' ' O ' ' B' ' 101' ' ' PRO . 1.4 m -159.05 17.4 0.18 Allowed 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.699 -1.251 . . . . 0.0 108.992 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.474 ' NZ ' ' O ' ' B' ' 97' ' ' GLN . 6.6 ttpt -78.29 6.28 8.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.821 -1.174 . . . . 0.0 109.263 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -57.5 140.23 51.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.517 ' H ' ' CD ' ' B' ' 98' ' ' GLU . . . -52.71 -29.12 32.31 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.696 -1.762 . . . . 0.0 108.696 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.178 -2.66 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 176.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 1 N-CA-C 102.3 -4.32 . . . . 0.0 102.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.57 -167.91 1.35 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mmt -139.82 147.09 40.24 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.1 132.34 47.65 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.28 128.98 19.75 Favored Glycine 0 C--N 1.284 -2.343 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.79 -174.15 2.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.254 -1.145 . . . . 0.0 108.038 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.15 141.33 3.19 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 m -166.39 159.33 14.59 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.5 138.16 57.78 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -51.99 118.95 3.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -77.12 -178.86 5.24 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.254 -0.904 . . . . 0.0 109.728 -176.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 31.5 mt-30 -120.94 -155.32 0.63 Allowed 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.79 103.08 12.91 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 15' ' ' PHE . 3.7 t0 -77.88 -178.75 5.62 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' SER . 16.2 m-85 31.89 47.24 0.07 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -27.1 -64.42 0.08 Allowed 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.397 0.618 . . . . 0.0 110.037 -175.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 19' ' ' TYR . 3.0 mm-40 -123.44 163.62 20.5 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.75 65.28 0.21 Allowed 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.8 m-85 -150.32 152.11 33.96 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -136.01 63.65 1.59 Allowed 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' HIS . 14.1 mmm180 -97.48 21.84 9.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 1.1 p90 34.39 30.33 0.01 OUTLIER 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 123.919 0.888 . . . . 0.0 112.898 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ARG . 47.3 m80 -122.45 -89.47 0.6 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.75 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.7 -49.3 65.61 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 2.4 pm0 -44.2 -67.84 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.26 0.552 . . . . 0.0 109.672 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' ' HG2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -44.62 -45.22 9.46 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.709 -0.619 . . . . 0.0 109.373 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 HG23 ' B' ' 36' ' ' ILE . 16.4 mt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.529 -0.732 . . . . 0.0 109.378 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.811 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 118.421 -1.312 . . . . 0.0 109.975 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -84.87 -5.16 59.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 0.0 110.212 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.627 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.5 mtm -85.08 162.08 19.44 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.95 153.3 21.14 Favored 'General case' 0 C--N 1.28 -2.453 0 O-C-N 120.904 -1.122 . . . . 0.0 108.922 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.2 mttt -57.7 -38.77 75.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -55.18 -40.94 71.26 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -72.83 -65.46 0.79 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.17 -37.86 0.99 Allowed 'General case' 0 N--CA 1.505 2.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.301 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.8 HD13 ' NE2' ' B' ' 28' ' ' GLN . 89.6 mt -75.25 -49.28 28.33 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 C-N-CA 119.483 -0.887 . . . . 0.0 108.795 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -51.49 53.79 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -59.21 -38.72 80.63 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 118.929 -1.109 . . . . 0.0 109.906 178.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.5 m-85 -55.38 -43.47 75.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.575 -1.328 . . . . 0.0 112.348 174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.12 -50.27 74.36 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 117.961 -1.496 . . . . 0.0 109.181 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.24 -53.22 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 118.29 -1.364 . . . . 0.0 109.769 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD13 HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -47.03 -55.16 8.7 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.31 -53.66 55.58 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.579 -0.7 . . . . 0.0 109.373 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -55.99 -38.48 70.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.002 -1.061 . . . . 0.0 108.918 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.68 -64.32 0.99 Allowed 'General case' 0 C--O 1.2 -1.549 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 HD13 ' B' ' 42' ' ' LEU . 20.5 tp -52.09 -33.77 40.92 Favored 'General case' 0 C--O 1.19 -2.073 0 O-C-N 121.351 -0.843 . . . . 0.0 109.45 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 m -65.5 -52.38 53.17 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.261 -0.899 . . . . 0.0 109.173 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -59.06 -48.61 80.98 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 19.3 mmm -63.11 -19.31 64.31 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.902 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.85 -48.84 13.95 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.521 ' HB3' HH21 ' A' ' 55' ' ' ARG . 1.6 m-20 -55.03 -48.36 73.52 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' B' ' 57' ' ' ARG . 37.3 mt-10 -64.99 -54.93 22.72 Favored 'General case' 0 C--O 1.195 -1.793 0 C-N-CA 120.076 -0.649 . . . . 0.0 109.346 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 3.9 m-80 -44.87 -43.74 9.05 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -57.61 -63.63 1.17 Allowed 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.521 HH21 ' HB3' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -62.91 -65.09 0.74 Allowed 'General case' 0 C--O 1.19 -2.066 0 O-C-N 121.472 -0.768 . . . . 0.0 109.651 -178.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.4 mt -34.41 -60.39 0.42 Allowed 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 57.1 mtm-85 -63.15 -36.16 82.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.879 -0.513 . . . . 0.0 110.652 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.63 -39.14 64.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.18 -0.95 . . . . 0.0 108.51 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ARG . 13.9 mt-10 -70.32 -66.82 0.55 Allowed 'General case' 0 C--N 1.279 -2.465 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' GLU . 3.4 p -36.08 -59.82 0.59 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.692 0.758 . . . . 0.0 110.983 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -31.65 50.3 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.553 -0.717 . . . . 0.0 109.462 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -95.45 12.21 30.18 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 30.4 mt -117.89 138.31 52.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 109.804 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -116.6 -110.27 2.63 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 106.7 -2.56 . . . . 0.0 106.7 175.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.34 60.48 0.02 OUTLIER Glycine 0 N--CA 1.507 3.414 0 N-CA-C 107.105 -2.398 . . . . 0.0 107.105 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.3 OUTLIER -121.61 -1.15 9.58 Favored 'General case' 0 C--N 1.271 -2.831 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -171.342 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -32.52 5.17 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.808 -0.557 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.04 -38.41 64.02 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.603 HH21 ' CD ' ' A' ' 72' ' ' GLU . 1.6 tpm_? -61.77 -47.23 86.08 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.62 HG13 HD11 ' B' ' 73' ' ' LEU . 94.2 t -50.57 -55.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -54.54 -44.16 72.6 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.713 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.675 ' HA ' HD12 ' A' ' 75' ' ' LEU . 39.5 mt-10 -57.66 -40.99 80.6 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 51.2 mt -72.86 -34.47 66.77 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.41 -46.11 90.07 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.1 mt -61.17 -41.61 97.09 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.98 -45.52 85.31 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD23 HD12 ' B' ' 80' ' ' LEU . 14.0 mt -56.38 -56.99 14.31 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.3 -0.875 . . . . 0.0 108.794 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.514 ' CG ' HH21 ' A' ' 81' ' ' ARG . 0.8 OUTLIER -55.11 -28.26 51.31 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.124 177.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -44.6 91.05 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 80' ' ' LEU . 24.5 mt -70.99 -36.73 72.6 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 HH21 ' CG ' ' A' ' 78' ' ' ASP . 17.6 mtm105 -63.31 -37.9 89.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.16 -48.55 79.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -48.75 70.57 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' ND2' HD21 ' B' ' 84' ' ' ASN . 13.6 m-80 -50.02 -51.69 39.98 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.24 -54.77 39.29 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -54.23 -54.04 45.4 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-O 121.608 0.718 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.3 mt -62.61 -48.75 78.04 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 121.415 -0.803 . . . . 0.0 110.354 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.423 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -63.87 -48.55 76.24 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 121.17 -0.957 . . . . 0.0 108.919 -178.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -41.72 77.08 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 118.718 -1.193 . . . . 0.0 109.06 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -67.66 -47.55 69.2 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.143 -0.973 . . . . 0.0 109.314 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -54.64 -49.34 70.76 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' GLN . 25.2 mt-10 -56.19 -44.76 79.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.694 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.444 ' HA ' HE22 ' A' ' 97' ' ' GLN . 0.6 OUTLIER -52.91 -46.03 67.86 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 118.437 -1.305 . . . . 0.0 108.131 178.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -67.36 -44.53 78.8 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.905 178.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -35.1 72.82 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLU . 23.6 mt-30 -81.35 -49.37 10.77 Favored 'General case' 0 C--N 1.286 -2.175 0 O-C-N 121.452 -0.78 . . . . 0.0 109.298 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.444 HE22 ' HA ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -152.9 -92.25 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 118.743 -1.183 . . . . 0.0 111.652 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 38.47 -104.63 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.192 -0.942 . . . . 0.0 110.937 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' NH1' ' OXT' ' B' ' 107' ' ' ASP . 1.3 mmt180 -96.79 25.14 5.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.678 -1.264 . . . . 0.0 110.211 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -89.13 -51.58 0.37 Allowed Pre-proline 0 C--N 1.277 -2.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.065 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 12.6 Cg_endo -52.74 48.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.507 2.287 0 C-N-CA 123.761 2.974 . . . . 0.0 113.516 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 100' ' ' ALA . 18.3 mt -150.93 176.82 10.74 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.471 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -67.5 98.91 0.7 Allowed 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 77.5 0.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 103' ' ' SER . 33.9 m-85 -63.35 -23.54 67.46 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 51.39 43.41 51.84 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.083 -2.007 . . . . 0.0 108.083 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.188 -2.16 0 O-C-N 121.483 -1.01 . . . . 0.0 108.69 -177.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 1 N-CA-C 102.735 -4.146 . . . . 0.0 102.735 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.73 -171.1 1.76 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.11 136.74 38.57 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.48 139.07 50.47 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.5 130.74 10.54 Favored Glycine 0 C--N 1.29 -2.005 0 N-CA-C 107.859 -2.097 . . . . 0.0 107.859 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.02 -167.06 0.79 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.926 . . . . 0.0 108.855 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 142.59 3.43 Favored Glycine 0 C--N 1.288 -2.085 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.06 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -166.79 164.74 16.52 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 147.06 51.94 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -59.97 119.5 7.87 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD12 ' O ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -75.5 175.21 8.71 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.511 -0.743 . . . . 0.0 109.082 -178.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -116.18 -160.09 0.74 Allowed 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -97.83 108.62 21.37 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 121.152 -0.968 . . . . 0.0 108.66 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' B' ' 15' ' ' PHE . 1.8 t0 -85.43 -175.84 5.85 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' B' ' 14' ' ' ASP . 26.9 m-85 33.13 44.97 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.513 ' HB3' ' HG3' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -24.55 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.815 0.846 . . . . 0.0 110.736 -175.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 19' ' ' TYR . 2.8 mm-40 -123.07 165.51 16.69 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 173.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.11 54.92 0.3 Allowed 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' B' ' 17' ' ' GLU . 8.9 m-85 -140.07 159.7 41.6 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -142.69 62.49 1.41 Allowed 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 13.9 mmm180 -94.74 21.67 7.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.411 ' CG ' ' C ' ' B' ' 21' ' ' ARG . 1.6 p90 35.34 34.74 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.278 1.031 . . . . 0.0 112.281 175.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 21' ' ' ARG . 32.2 m80 -127.78 -89.98 0.52 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.722 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -53.0 -49.2 66.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.654 ' CD ' ' H ' ' B' ' 25' ' ' GLU . 2.4 pm0 -44.16 -68.97 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.591 -0.693 . . . . 0.0 109.634 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.448 ' H ' ' HG2' ' B' ' 25' ' ' GLU . 0.8 OUTLIER -44.85 -44.15 9.3 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.888 -0.508 . . . . 0.0 109.822 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 36' ' ' ILE . 12.9 mt -57.73 -47.61 81.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.8 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.22 -23.92 60.43 Favored 'General case' 0 C--N 1.295 -1.787 0 C-N-CA 118.285 -1.366 . . . . 0.0 109.555 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -86.57 -5.37 59.16 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.609 -0.682 . . . . 0.0 110.589 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.577 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.4 mtm -83.67 162.21 20.82 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 175.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.34 156.53 19.11 Favored 'General case' 0 C--N 1.276 -2.598 0 O-C-N 121.04 -1.037 . . . . 0.0 108.287 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.627 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 7.0 mttt -59.91 -39.59 85.92 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -53.12 -46.13 68.63 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -68.61 -65.43 0.7 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.543 -0.723 . . . . 0.0 109.075 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.06 -39.23 1.17 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.108 0.48 . . . . 0.0 110.071 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.811 HD13 ' NE2' ' A' ' 28' ' ' GLN . 95.9 mt -74.17 -50.55 27.37 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.01 -49.01 64.18 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.8 pt-20 -63.1 -34.4 77.51 Favored 'General case' 0 C--O 1.199 -1.58 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.145 178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.57 -44.09 85.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.444 -1.41 . . . . 0.0 112.049 173.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.32 -48.98 78.79 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.031 -177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 6.3 pt-20 -70.66 -55.7 8.14 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.809 -1.157 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.425 HD13 HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -47.14 -54.13 11.3 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.64 0.733 . . . . 0.0 109.225 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.2 mm-40 -57.52 -54.63 44.64 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -55.8 -41.54 74.28 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.47 -64.34 0.93 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 42' ' ' LEU . 27.5 tp -53.32 -37.31 62.18 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.087 -1.008 . . . . 0.0 109.802 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.3 m -62.75 -47.93 81.39 Favored 'General case' 0 C--N 1.289 -2.053 0 O-C-N 121.144 -0.972 . . . . 0.0 109.051 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -63.07 -43.98 97.07 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.1 mmm -68.85 -18.79 64.21 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.994 -0.441 . . . . 0.0 109.84 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.7 mm-40 -77.31 -45.74 25.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.489 ' HB3' HH21 ' B' ' 55' ' ' ARG . 3.4 m-20 -52.97 -53.65 46.71 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 175.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 54.3 mt-10 -65.23 -52.12 56.63 Favored 'General case' 0 C--O 1.186 -2.268 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.414 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.57 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 5.8 m-80 -45.48 -44.58 12.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.447 -0.783 . . . . 0.0 109.609 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -57.14 -65.44 0.62 Allowed 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.489 HH21 ' HB3' ' B' ' 51' ' ' ASP . 1.1 mpp_? -61.89 -64.07 1.05 Allowed 'General case' 0 C--O 1.182 -2.454 0 O-C-N 121.508 -0.745 . . . . 0.0 109.519 -178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.4 mt -34.49 -60.14 0.43 Allowed 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.57 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 54.0 mtm-85 -61.88 -42.2 98.78 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.923 -0.485 . . . . 0.0 109.761 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -67.95 -40.46 83.23 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.144 -0.973 . . . . 0.0 109.114 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' B' ' 62' ' ' ARG . 15.8 mt-10 -68.77 -66.38 0.58 Allowed 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 59' ' ' GLU . 3.0 p -36.15 -62.74 0.42 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-O 121.636 0.731 . . . . 0.0 110.994 -176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -36.2 42.83 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.483 0.659 . . . . 0.0 109.366 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.433 ' O ' ' NE ' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -90.09 9.4 28.33 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.764 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 24.2 mt -115.42 147.32 40.7 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.626 -0.671 . . . . 0.0 109.57 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -125.11 -107.47 1.67 Allowed Glycine 0 N--CA 1.499 2.854 0 N-CA-C 106.707 -2.557 . . . . 0.0 106.707 176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.506 ' CA ' ' H ' ' A' ' 64' ' ' GLY . . . 147.68 57.3 0.02 OUTLIER Glycine 0 N--CA 1.513 3.782 0 N-CA-C 107.441 -2.263 . . . . 0.0 107.441 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -118.96 -8.85 10.18 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.27 -1.135 . . . . 0.0 110.221 -169.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.1 OUTLIER -46.54 -30.12 2.1 Favored 'General case' 0 N--CA 1.511 2.594 0 O-C-N 121.637 -0.664 . . . . 0.0 111.075 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.4 62.32 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.554 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.6 tpm_? -59.51 -47.98 83.42 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 172.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 73' ' ' LEU . 82.8 t -50.55 -52.68 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -56.61 -44.63 81.34 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' B' ' 75' ' ' LEU . 45.0 mt-10 -57.41 -45.38 84.64 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.62 HD11 HG13 ' A' ' 70' ' ' VAL . 59.5 mt -66.74 -35.57 80.42 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.206 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.55 -47.06 87.28 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.7 mt -60.88 -43.56 98.26 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.63 -48.4 81.05 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.617 0.722 . . . . 0.0 109.218 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 73' ' ' LEU . 14.2 mt -53.64 -56.73 14.68 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 121.43 -0.794 . . . . 0.0 109.029 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.468 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -57.95 -26.09 61.83 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.369 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 177.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' B' ' 80' ' ' LEU . 19.2 mt -66.01 -38.52 88.65 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.468 HH21 ' CG ' ' B' ' 78' ' ' ASP . 25.2 mtm105 -62.11 -36.71 82.57 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.84 -58.05 9.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -51.83 65.64 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.419 HD21 ' ND2' ' A' ' 84' ' ' ASN . 22.5 m-80 -49.61 -48.53 48.89 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.46 -55.81 29.93 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -56.41 -41.94 77.19 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.503 0.668 . . . . 0.0 109.763 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 16.0 mt -72.17 -48.13 45.61 Favored 'General case' 0 C--N 1.283 -2.325 0 O-C-N 121.088 -1.008 . . . . 0.0 109.652 -177.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -65.58 -49.93 66.98 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.318 -0.864 . . . . 0.0 109.578 -179.264 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -43.12 72.4 Favored 'General case' 0 C--N 1.289 -2.035 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.587 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' B' ' 93' ' ' LEU . 44.2 mt-10 -69.74 -41.64 74.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -58.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -55.24 -44.24 75.33 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 90' ' ' GLU . 0.9 OUTLIER -51.23 -47.91 62.24 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.342 -1.343 . . . . 0.0 108.318 178.15 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.3 OUTLIER -67.38 -43.23 81.91 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.992 178.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -45.97 69.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.87 -51.53 25.78 Favored 'General case' 0 C--N 1.281 -2.412 0 O-C-N 121.952 -0.467 . . . . 0.0 110.532 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -150.3 -93.3 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.023 -178.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 97' ' ' GLN . 3.4 mm-40 38.46 -120.54 0.25 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.226 -0.921 . . . . 0.0 110.116 -177.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -81.81 24.92 0.58 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 119.834 -1.791 . . . . 0.0 111.205 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -86.12 -53.25 0.44 Allowed Pre-proline 0 C--N 1.282 -2.363 0 O-C-N 121.515 -0.741 . . . . 0.0 110.939 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.55 ' HD2' ' H ' ' B' ' 100' ' ' ALA . 11.9 Cg_endo -51.05 44.25 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.654 0 C-N-CA 124.292 3.328 . . . . 0.0 114.637 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' B' ' 100' ' ' ALA . 21.7 mt -145.29 -178.74 6.22 Favored 'General case' 0 C--N 1.276 -2.621 0 N-CA-C 106.935 -1.505 . . . . 0.0 106.935 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.485 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.5 OUTLIER -68.87 97.38 0.83 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 68.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.258 -0.901 . . . . 0.0 108.738 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 103' ' ' SER . 38.4 m-85 -53.25 -36.16 60.8 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.81 47.23 92.27 Favored Glycine 0 C--N 1.293 -1.821 0 N-CA-C 107.637 -2.185 . . . . 0.0 107.637 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.458 ' OXT' ' NH1' ' A' ' 99' ' ' ARG . 18.3 t70 . . . . . 0 C--O 1.187 -2.228 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 1 N-CA-C 101.905 -4.478 . . . . 0.0 101.905 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.3 151.04 37.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.239 . . . . 0.0 108.997 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.5 mmm -95.49 155.86 16.56 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.49 -150.05 0.16 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.34 75.39 1.27 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.42 -136.32 0.2 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.418 -1.048 . . . . 0.0 108.805 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.43 154.93 27.53 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.15 -44.96 0.07 Allowed 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.384 -1.068 . . . . 0.0 108.411 -177.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.639 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.4 mp0 -47.78 113.12 0.66 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.435 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -88.49 151.64 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -130.91 155.52 46.62 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' CD ' ' HZ1' ' B' ' 32' ' ' LYS . 14.6 mt-30 -93.39 144.63 25.15 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.6 mtm-85 -86.97 33.2 0.66 Allowed 'General case' 0 C--N 1.289 -2.025 0 O-C-N 121.159 -0.963 . . . . 0.0 108.977 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.8 p30 -114.28 -18.15 11.66 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 20.5 m-85 -52.99 84.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -78.93 49.97 0.97 Allowed 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.309 -0.869 . . . . 0.0 109.432 -177.227 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.21 56.48 0.1 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.436 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -148.41 23.31 1.03 Allowed 'General case' 0 C--N 1.284 -2.241 0 O-C-N 120.711 -1.243 . . . . 0.0 109.016 177.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' ARG . 13.5 m-85 -120.47 -177.63 3.5 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.79 58.55 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.033 0.92 . . . . 0.0 108.796 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER 47.17 34.71 3.13 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.426 1.108 . . . . 0.0 108.81 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.2 m-30 -33.26 121.45 0.39 Allowed 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.274 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -51.34 -24.85 5.1 Favored 'General case' 0 N--CA 1.502 2.172 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' NE2' ' A' ' 28' ' ' GLN . 8.5 m -49.41 -26.95 3.62 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.483 ' CD ' ' N ' ' A' ' 26' ' ' SER . 4.1 tm-20 -44.83 -65.95 0.46 Allowed 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 170.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 50.1 m -46.14 -37.29 6.76 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 121.86 -0.525 . . . . 0.0 110.0 -178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD13 HG23 ' B' ' 36' ' ' ILE . 76.8 mt -65.49 -40.05 92.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.169 -0.957 . . . . 0.0 108.773 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.878 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.46 -29.8 59.75 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 118.5 -1.28 . . . . 0.0 108.592 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -76.75 -6.78 53.66 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.356 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.44 ' O ' ' CE ' ' B' ' 32' ' ' LYS . 37.5 mtp -87.06 159.64 18.87 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.49 156.92 18.83 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 121.063 -1.023 . . . . 0.0 109.071 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HZ1' ' CD ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.2 -48.85 77.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.386 -0.821 . . . . 0.0 108.896 -176.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -56.53 -37.93 71.14 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 121.606 -0.684 . . . . 0.0 110.411 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.89 -64.63 0.82 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.1 mt -43.76 -38.62 3.3 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 121.422 0.63 . . . . 0.0 109.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HE22 ' B' ' 28' ' ' GLN . 77.9 mt -73.95 -49.02 36.26 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.339 0 C-N-CA 119.447 -0.901 . . . . 0.0 108.822 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -55.19 -45.4 75.84 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.199 -0.938 . . . . 0.0 109.304 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -63.82 -30.56 71.64 Favored 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 118.244 -1.382 . . . . 0.0 109.827 179.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.06 -41.3 92.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.85 -1.156 . . . . 0.0 110.905 174.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.99 -40.62 89.8 Favored 'General case' 0 C--N 1.278 -2.532 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.5 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.95 -60.6 2.2 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' B' ' 42' ' ' LEU . 0.0 OUTLIER -44.35 -54.94 5.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.32 -51.05 71.63 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.374 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -48.74 61.96 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' MET . 30.1 m -58.07 -63.26 1.32 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.96 -34.24 54.88 Favored 'General case' 0 C--O 1.187 -2.221 0 O-C-N 121.088 -1.007 . . . . 0.0 109.511 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 m -60.75 -53.92 51.52 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.08 -1.012 . . . . 0.0 108.583 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -58.02 -49.13 77.92 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 35.9 mmm -64.13 -21.86 66.71 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.788 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 1.0 OUTLIER -75.83 -46.16 31.91 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 2.4 m-20 -60.28 -56.36 22.4 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 8.3 mm-40 -51.16 -57.07 9.72 Favored 'General case' 0 C--O 1.187 -2.189 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.485 ' CG ' ' SD ' ' B' ' 49' ' ' MET . 10.5 m-80 -50.25 -46.49 54.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.667 -0.646 . . . . 0.0 109.568 -178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.23 -57.39 11.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.787 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 HH11 ' CG ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -62.35 -66.81 0.48 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 35.8 mt -35.29 -57.99 0.57 Allowed 'General case' 0 C--N 1.293 -1.881 0 C-N-CA 122.875 0.47 . . . . 0.0 111.737 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 20.7 mmt180 -58.8 -38.37 78.43 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.1 mt -74.87 -47.78 28.35 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -56.43 -58.61 7.28 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.515 -0.74 . . . . 0.0 109.187 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -46.74 -59.01 3.32 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.176 0.512 . . . . 0.0 111.597 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -58.23 -37.8 75.59 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.837 -177.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -80.84 15.94 1.61 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.507 -0.745 . . . . 0.0 109.051 177.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.9 mt -117.73 173.31 6.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -155.65 -118.02 0.6 Allowed Glycine 0 C--N 1.276 -2.79 0 N-CA-C 106.358 -2.697 . . . . 0.0 106.358 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.19 77.41 0.02 OUTLIER Glycine 1 N--CA 1.519 4.179 0 C-N-CA 117.489 -2.291 . . . . 0.0 112.382 174.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.628 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -166.06 4.75 0.03 OUTLIER 'General case' 0 C--N 1.27 -2.851 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' H ' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -47.4 -37.58 11.64 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 124.876 1.27 . . . . 0.0 110.5 -177.134 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.78 -31.26 64.74 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -62.2 -42.85 99.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' B' ' 66' ' ' ASP . 86.6 t -49.09 -51.22 13.55 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.694 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 74' ' ' GLU . 6.3 tpp180 -55.97 -44.99 79.04 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.899 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 75' ' ' LEU . 35.6 mt-10 -58.29 -43.6 88.11 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.65 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -68.15 -35.13 77.59 Favored 'General case' 0 C--O 1.193 -1.885 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.037 178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 71' ' ' ARG . 46.7 mt-10 -60.58 -49.01 79.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.7 mt -61.3 -38.47 86.92 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.93 -49.46 70.29 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' CD1' HD22 ' B' ' 73' ' ' LEU . 19.4 mt -55.59 -58.12 9.12 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 81' ' ' ARG . 1.2 m-20 -56.94 -34.24 67.81 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.597 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.9 tmm_? -61.52 -47.78 84.04 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD12 HD23 ' B' ' 77' ' ' LEU . 12.7 mt -62.41 -40.53 96.84 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.388 -0.82 . . . . 0.0 108.946 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 78' ' ' ASP . 18.9 mtm105 -62.18 -34.62 76.78 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -60.9 -53.94 51.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CD ' HH11 ' A' ' 79' ' ' ARG . 0.2 OUTLIER -61.22 -48.23 82.46 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.957 -0.756 . . . . 0.0 108.957 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.553 ' ND2' HD21 ' B' ' 84' ' ' ASN . 10.8 m-80 -50.96 -49.46 60.02 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' A' ' 89' ' ' THR . 3.1 tp -57.29 -55.43 34.86 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -51.94 -50.85 60.37 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.607 -0.683 . . . . 0.0 109.791 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.7 mt -68.29 -53.33 25.14 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 121.417 -0.802 . . . . 0.0 110.321 -176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -58.26 -43.66 88.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 0.0 108.68 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -61.82 -45.19 94.89 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.335 -0.853 . . . . 0.0 108.996 -178.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.471 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.0 mt-10 -66.1 -39.14 89.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.888 -1.132 . . . . 0.0 109.273 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.48 -49.17 78.33 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.47 -44.52 84.9 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.286 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 60.7 mt -54.09 -25.13 20.23 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.013 -1.054 . . . . 0.0 108.999 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' GLU . 38.6 t60 -85.29 -62.86 1.43 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.45 -1.3 . . . . 0.0 107.877 171.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.11 -44.16 64.31 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.377 0.608 . . . . 0.0 112.216 -175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -31.63 62.13 Favored 'General case' 0 C--N 1.284 -2.247 0 O-C-N 121.418 -0.801 . . . . 0.0 109.269 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 1.9 mp0 -86.65 -53.86 4.71 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 94' ' ' HIS . 2.4 mm-40 34.19 -103.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 122.063 -0.398 . . . . 0.0 110.702 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' NH1' ' OE1' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -73.99 54.84 0.54 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.001 -1.062 . . . . 0.0 108.519 178.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -106.41 -64.29 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.946 0 O-C-N 121.445 -0.785 . . . . 0.0 109.327 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.2 Cg_exo -35.32 128.24 0.28 Allowed 'Trans proline' 0 N--CA 1.482 0.841 0 C-N-CA 122.878 2.385 . . . . 0.0 112.24 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mt -69.47 22.64 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.196 -0.94 . . . . 0.0 109.532 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 101' ' ' PRO . 1.1 m -166.58 -171.2 1.81 Allowed 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.4 mttp 65.05 -64.52 0.17 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.436 -0.79 . . . . 0.0 110.749 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -70.17 -6.02 31.31 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.335 -0.853 . . . . 0.0 110.935 -176.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.81 -21.33 50.91 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.142 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 1 N-CA-C 102.433 -4.267 . . . . 0.0 102.433 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 142.23 54.22 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.927 -1.337 . . . . 0.0 108.936 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.04 149.2 21.65 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.393 -0.817 . . . . 0.0 108.85 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.07 -168.76 2.07 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.63 79.29 1.03 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -98.05 -153.32 0.42 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.44 141.69 10.44 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.226 -1.949 . . . . 0.0 108.226 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.48 -47.84 0.14 Allowed 'General case' 0 C--N 1.288 -2.078 0 O-C-N 121.383 -1.069 . . . . 0.0 108.462 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.707 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 1.9 mp0 -51.14 108.02 0.22 Allowed 'General case' 0 C--N 1.284 -2.264 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.406 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' B' ' 10' ' ' PHE . 1.4 p90 -80.21 156.73 26.77 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -133.75 159.56 40.21 Favored 'General case' 0 C--N 1.279 -2.478 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.506 ' CD ' ' HZ1' ' A' ' 32' ' ' LYS . 17.4 mt-30 -99.17 147.61 24.94 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -86.67 32.26 0.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.187 -0.946 . . . . 0.0 109.168 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' B' ' 16' ' ' SER . 12.3 p30 -117.2 -12.38 10.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.691 -0.631 . . . . 0.0 109.323 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.432 ' CE1' ' NE2' ' B' ' 12' ' ' GLN . 17.4 m-85 -57.66 79.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 14' ' ' ASP . 4.4 m -79.85 55.02 1.97 Allowed 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 122.166 0.984 . . . . 0.0 109.254 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.32 46.64 0.27 Allowed 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 110.407 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -140.1 35.85 1.92 Allowed 'General case' 0 C--N 1.285 -2.226 0 O-C-N 120.984 -1.073 . . . . 0.0 108.268 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' B' ' 21' ' ' ARG . 16.4 m-85 -128.63 -175.59 3.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.45 55.24 0.06 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.357 -0.84 . . . . 0.0 109.133 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER 51.96 34.72 14.29 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 122.548 1.165 . . . . 0.0 108.349 -178.201 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -35.59 118.76 0.5 Allowed 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.567 -178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -52.03 -21.48 3.19 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.752 HG22 ' NE2' ' B' ' 28' ' ' GLN . 5.4 m -46.86 -28.94 1.74 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 174.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' B' ' 26' ' ' SER . 4.0 tm-20 -42.75 -67.25 0.29 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 172.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' B' ' 25' ' ' GLU . 38.9 m -46.27 -37.93 7.93 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.819 -0.55 . . . . 0.0 109.874 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 36' ' ' ILE . 77.8 mt -65.25 -40.58 94.2 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.328 -0.858 . . . . 0.0 108.86 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.881 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.8 -30.37 59.04 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.629 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -76.36 -7.54 55.23 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.631 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' B' ' 35' ' ' LEU . 33.3 mtp -88.3 158.74 18.36 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 175.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.63 163.66 15.71 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.905 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.518 ' HZ1' ' CD ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -60.35 -50.55 73.17 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.473 -0.767 . . . . 0.0 109.481 -177.611 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -58.75 -28.04 65.51 Favored 'General case' 0 C--N 1.288 -2.085 0 O-C-N 121.447 -0.783 . . . . 0.0 110.797 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -75.55 -62.4 1.59 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.03 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.419 ' CD2' ' HE2' ' B' ' 30' ' ' MET . 15.2 mt -42.82 -37.61 1.86 Allowed 'General case' 0 N--CA 1.506 2.375 0 CA-C-O 121.716 0.77 . . . . 0.0 109.128 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.878 HD13 ' NE2' ' A' ' 28' ' ' GLN . 83.9 mt -73.74 -48.64 39.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -55.51 -50.31 70.29 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.247 -0.908 . . . . 0.0 109.089 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.74 -30.82 67.78 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 118.319 -1.353 . . . . 0.0 109.979 179.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -61.9 -40.84 96.81 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.395 -0.816 . . . . 0.0 111.119 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.49 -36.36 78.14 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 118.69 -1.204 . . . . 0.0 108.716 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 7.6 mt-10 -75.12 -57.97 3.57 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -44.51 -54.75 5.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.76 -50.19 74.86 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -51.78 -49.98 61.6 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 m -58.65 -63.47 1.27 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.715 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.77 -34.03 51.26 Favored 'General case' 0 C--O 1.189 -2.079 0 O-C-N 121.16 -0.962 . . . . 0.0 109.682 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -52.79 57.82 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.161 -0.962 . . . . 0.0 108.918 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -58.04 -49.17 77.78 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 53' ' ' ASN . 40.5 mmm -61.55 -21.49 64.33 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.66 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.426 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 0.6 OUTLIER -76.27 -48.88 18.62 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' B' ' 55' ' ' ARG . 1.1 m-20 -59.17 -54.73 43.62 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . 3.1 mm-40 -52.34 -58.0 8.03 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.23 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.485 ' ND2' ' ND2' ' A' ' 53' ' ' ASN . 10.4 m-80 -49.36 -43.49 44.0 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.385 -0.822 . . . . 0.0 109.351 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -64.59 -58.41 6.42 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.965 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 51' ' ' ASP . 1.0 OUTLIER -61.57 -67.08 0.44 Allowed 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.327 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 39.8 mt -34.87 -56.9 0.55 Allowed 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 123.044 0.537 . . . . 0.0 111.863 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' B' ' 61' ' ' LYS . 22.5 mmt180 -61.45 -37.85 85.07 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.624 -176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.88 -47.84 50.01 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.856 -1.153 . . . . 0.0 108.469 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -58.53 -59.74 4.9 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 121.676 -0.64 . . . . 0.0 109.354 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.439 ' HA ' HD12 ' B' ' 63' ' ' LEU . 4.0 p -45.64 -45.63 14.09 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 122.037 -0.414 . . . . 0.0 111.046 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 57' ' ' ARG . 9.9 mtpp -65.19 -48.36 73.69 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 118.43 -1.308 . . . . 0.0 107.938 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.75 17.56 0.21 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 15.7 mt -114.29 -179.82 3.74 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.322 -0.862 . . . . 0.0 109.407 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -173.59 -112.89 0.3 Allowed Glycine 0 C--N 1.276 -2.781 0 N-CA-C 106.494 -2.642 . . . . 0.0 106.494 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.69 -170.2 37.35 Favored Glycine 0 N--CA 1.497 2.744 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.605 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 69.82 -1.92 2.17 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 118.888 1.344 . . . . 0.0 110.712 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.471 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -51.02 -37.58 46.03 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.031 -1.043 . . . . 0.0 108.804 176.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.25 68.4 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -62.02 -42.08 98.78 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.65 HG13 HD11 ' A' ' 73' ' ' LEU . 92.3 t -48.89 -56.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -53.22 -44.84 68.37 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.742 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.683 ' HA ' HD12 ' B' ' 75' ' ' LEU . 38.7 mt-10 -58.42 -43.79 88.8 Favored 'General case' 0 C--N 1.291 -1.935 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.645 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 77' ' ' LEU . 78.4 mt -67.66 -35.97 79.86 Favored 'General case' 0 C--O 1.19 -2.06 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.063 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 70' ' ' VAL . 63.7 mt-10 -60.84 -45.66 93.62 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -63.78 -42.88 97.69 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.31 -45.96 92.27 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 73' ' ' LEU . 19.7 mt -59.4 -57.4 13.16 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.618 ' CG ' HH21 ' B' ' 81' ' ' ARG . 1.3 m-20 -56.03 -35.86 67.35 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.01 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.7 -46.89 88.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.508 HD22 ' ND2' ' A' ' 84' ' ' ASN . 11.2 mt -62.33 -43.45 98.79 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.618 HH21 ' CG ' ' B' ' 78' ' ' ASP . 20.2 mtm105 -60.11 -36.66 77.93 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.98 -52.55 63.55 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -52.07 67.3 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.553 HD21 ' ND2' ' A' ' 84' ' ' ASN . 27.1 m-80 -49.09 -48.93 43.92 Favored 'General case' 0 C--O 1.194 -1.843 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.494 HD12 ' HB ' ' B' ' 89' ' ' THR . 2.8 tp -57.71 -52.5 65.2 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -40.3 69.98 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.281 -0.887 . . . . 0.0 109.63 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -75.71 -53.16 8.97 Favored 'General case' 0 C--N 1.284 -2.243 0 O-C-N 120.938 -1.101 . . . . 0.0 110.19 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -45.41 94.75 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.254 -0.904 . . . . 0.0 109.093 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.494 ' HB ' HD12 ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.74 -46.1 77.89 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.006 -1.059 . . . . 0.0 108.562 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' B' ' 93' ' ' LEU . 7.8 mt-10 -68.46 -38.88 81.47 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.483 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -59.21 -50.25 74.75 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.64 -44.2 81.06 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.78 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 40.6 mt -53.89 -25.55 20.59 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.381 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' B' ' 98' ' ' GLU . 30.5 t60 -85.17 -62.21 1.59 Allowed 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.209 171.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -52.81 -41.32 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.829 -0.544 . . . . 0.0 111.804 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.424 ' NE2' HE22 ' B' ' 97' ' ' GLN . 0.0 OUTLIER -77.88 -28.91 50.02 Favored 'General case' 0 C--N 1.281 -2.387 0 O-C-N 121.179 -0.95 . . . . 0.0 108.982 -174.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 2.1 mp0 -90.27 -53.87 4.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 94' ' ' HIS . 2.6 mm-40 34.79 -100.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.028 0.531 . . . . 0.0 110.512 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.47 ' NH1' ' OE1' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -76.72 55.72 1.09 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.641 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -105.17 -62.69 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.244 -0.91 . . . . 0.0 109.668 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.641 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 6.3 Cg_exo -37.31 135.86 0.39 Allowed 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 123.233 2.622 . . . . 0.0 111.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.27 22.31 0.09 Allowed 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.161 -0.962 . . . . 0.0 108.997 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.503 ' H ' ' C ' ' B' ' 101' ' ' PRO . 21.6 m -168.42 -165.55 0.6 Allowed 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mttp 64.87 -58.49 0.25 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.293 -0.879 . . . . 0.0 110.792 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.2 OUTLIER -76.81 -7.07 54.75 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.176 -0.952 . . . . 0.0 110.816 -178.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.07 -37.68 37.19 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 N--CA 1.51 2.54 0 O-C-N 121.49 -1.006 . . . . 0.0 109.145 -178.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.682 1 N-CA-C 102.646 -4.182 . . . . 0.0 102.646 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB1' ' SD ' ' B' ' 3' ' ' MET . . . -53.91 146.98 13.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.407 -1.055 . . . . 0.0 108.663 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.564 ' SD ' ' HB1' ' B' ' 2' ' ' ALA . 47.7 mtp -72.15 69.71 0.78 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -49.69 131.72 21.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.776 -0.577 . . . . 0.0 109.59 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -72.01 69.46 1.04 Allowed Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.8 61.91 0.26 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.393 -1.063 . . . . 0.0 109.191 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' GLY . . . -84.06 149.57 25.41 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -162.95 132.9 4.39 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.087 -1.243 . . . . 0.0 108.036 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.86 123.99 23.27 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.198 -0.939 . . . . 0.0 108.649 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -76.2 143.5 41.03 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.2 pp -56.14 164.73 1.18 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-O 122.247 1.023 . . . . 0.0 111.284 -175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.5 -124.98 0.24 Allowed 'General case' 0 C--N 1.281 -2.391 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' ASN . 16.1 ttm105 54.79 105.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -95.64 -165.1 1.24 Allowed 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.69 58.64 5.05 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -70.98 63.44 0.31 Allowed 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.582 -175.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' TYR . 37.2 mt-10 -69.14 65.5 0.15 Allowed 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.765 HG23 ' HB3' ' A' ' 23' ' ' HIS . 17.4 m -40.81 95.38 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.744 0.783 . . . . 0.0 110.025 -177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' ARG . 60.3 t80 -71.63 -166.78 0.22 Allowed 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 19' ' ' TYR . 33.4 mt-10 -65.54 53.06 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.536 ' NH1' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mmp_? -137.51 149.43 46.78 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.985 -1.072 . . . . 0.0 109.474 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.48 58.44 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.463 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' HB3' HG23 ' A' ' 18' ' ' THR . 6.2 t-80 -69.33 59.94 0.12 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.15 -0.969 . . . . 0.0 109.034 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -43.46 -29.93 0.5 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 4.4 mm-40 -48.8 -64.11 0.9 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.181 -0.949 . . . . 0.0 109.848 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' A' ' 30' ' ' MET . 0.8 OUTLIER -46.41 -48.74 18.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 -177.322 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 46.8 mt -46.78 -51.34 16.58 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -85.2 -30.59 23.77 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.773 -1.204 . . . . 0.0 111.117 178.723 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.4 m-80 -82.13 -5.53 58.51 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.762 -1.211 . . . . 0.0 110.412 -176.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 26' ' ' SER . 20.6 mtp -88.2 159.05 18.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.809 -1.182 . . . . 0.0 108.313 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.22 145.05 26.09 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.77 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.2 tttt -47.27 -45.59 24.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.077 -1.014 . . . . 0.0 111.112 -174.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 34' ' ' GLU . 1.7 pp0? -56.4 -37.48 70.22 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.375 -0.828 . . . . 0.0 109.902 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' CD ' ' HE ' ' A' ' 13' ' ' ARG . 4.3 mt-10 -67.3 -49.46 64.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 32' ' ' LYS . 6.8 mt -56.53 -50.04 73.0 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 HD13 ' OE1' ' B' ' 28' ' ' GLN . 96.9 mt -53.43 -49.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.18 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.061 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -56.28 -51.52 67.85 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.061 -1.024 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.16 -30.89 70.99 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 118.036 -1.465 . . . . 0.0 110.102 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 6.6 m-85 -52.46 -47.97 66.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.086 -1.009 . . . . 0.0 109.824 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 10.9 mt -58.83 -41.75 87.64 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.12 -61.51 1.82 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.431 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' B' ' 42' ' ' LEU . 2.6 tp -52.96 -38.61 62.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.553 -0.717 . . . . 0.0 109.403 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -60.58 -52.28 65.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -53.83 -47.31 71.05 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -56.85 -61.63 2.3 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD23 HD11 ' B' ' 42' ' ' LEU . 6.9 tp -55.82 -35.6 66.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.125 -0.984 . . . . 0.0 109.838 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 m -63.27 -53.28 55.36 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -53.79 54.15 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.508 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 34.3 mmm -58.79 -20.78 52.97 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.922 -0.486 . . . . 0.0 110.023 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 0.7 OUTLIER -79.61 -50.07 11.23 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.8 m-20 -58.77 -44.97 90.78 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' OE2' ' NH1' ' B' ' 57' ' ' ARG . 37.4 mm-40 -63.3 -57.72 9.47 Favored 'General case' 0 C--O 1.18 -2.574 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 49' ' ' MET . 13.5 m-80 -48.52 -44.72 36.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.379 -0.826 . . . . 0.0 110.071 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -56.45 -60.31 3.72 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.165 0.507 . . . . 0.0 109.818 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -62.35 -64.34 0.96 Allowed 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' B' ' 56' ' ' LEU . 16.9 mt -35.02 -51.86 0.54 Allowed 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 122.844 0.457 . . . . 0.0 111.11 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.465 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.5 mmm180 -63.93 -53.62 47.54 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.38 -0.825 . . . . 0.0 109.331 -178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.16 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.259 -0.901 . . . . 0.0 109.625 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' HD21 ' B' ' 63' ' ' LEU . 0.5 OUTLIER -62.07 -55.92 24.13 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-O 121.521 0.676 . . . . 0.0 109.265 178.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.4 p -56.32 -43.31 78.87 Favored 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.303 -0.873 . . . . 0.0 110.126 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -59.84 -25.18 64.81 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 64' ' ' GLY . 23.0 mmm180 -99.09 42.56 1.09 Allowed 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' B' ' 63' ' ' LEU . 0.4 OUTLIER -56.73 85.64 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.157 -0.964 . . . . 0.0 109.004 178.242 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -132.46 -172.78 13.12 Favored Glycine 0 C--N 1.274 -2.885 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -176.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . 131.01 159.82 9.71 Favored Glycine 0 C--N 1.262 -3.58 0 N-CA-C 104.142 -3.583 . . . . 0.0 104.142 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.8 m-20 63.03 -19.54 0.05 Allowed 'General case' 0 N--CA 1.527 3.423 0 CA-C-N 118.589 1.195 . . . . 0.0 110.548 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -48.95 -32.28 8.82 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.996 -1.065 . . . . 0.0 109.126 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.94 61.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ASP . 5.3 tpp180 -55.13 -43.29 74.0 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' B' ' 66' ' ' ASP . 46.3 t -54.37 -55.38 15.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.604 HH21 ' CD ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -57.52 -41.69 81.34 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 122.089 -0.382 . . . . 0.0 110.039 -178.323 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.5 mt-10 -61.04 -40.39 93.45 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.109 -0.994 . . . . 0.0 108.501 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' B' ' 70' ' ' VAL . 72.6 mt -68.56 -37.68 80.11 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.908 176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' CD ' HH21 ' A' ' 71' ' ' ARG . 39.8 mt-10 -58.11 -46.85 84.85 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 72' ' ' GLU . 12.1 mt -66.17 -34.51 78.2 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CD ' HH21 ' A' ' 79' ' ' ARG . 10.2 tp10 -67.74 -41.14 83.89 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD23 HD12 ' B' ' 80' ' ' LEU . 20.6 mt -61.27 -41.64 97.28 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.39 -41.01 79.42 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.463 HH21 ' CD ' ' A' ' 76' ' ' GLU . 3.8 ttp180 -59.37 -55.7 31.41 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.491 HD12 HD23 ' B' ' 77' ' ' LEU . 21.0 mt -62.47 -39.89 94.89 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -59.83 -40.32 88.07 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -61.37 -42.65 99.06 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.44 -56.63 10.04 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 45.7 m-20 -50.41 -46.69 56.48 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.995 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.31 -55.25 37.26 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -56.93 -43.96 81.98 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.315 0.578 . . . . 0.0 109.537 -179.032 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 9.9 mt -72.54 -50.11 27.98 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.18 -0.95 . . . . 0.0 110.301 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -57.84 -49.25 77.32 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -46.93 87.31 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 118.681 -1.208 . . . . 0.0 109.462 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mt-10 -65.76 -38.94 90.45 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.892 -1.13 . . . . 0.0 109.563 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' ' NH2' ' A' ' 95' ' ' ARG . 59.4 t30 -62.75 -48.39 79.4 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 29.4 mt-10 -54.13 -47.43 71.88 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 90' ' ' GLU . 4.4 mt -55.8 -53.31 58.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.187 -0.946 . . . . 0.0 109.423 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 25.0 t60 -62.57 -44.21 96.88 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.37 -178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -67.96 -46.12 72.31 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.442 -0.786 . . . . 0.0 109.317 -178.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 26.5 mt-30 -76.81 -65.3 0.96 Allowed 'General case' 0 C--N 1.284 -2.273 0 CA-C-O 121.639 0.733 . . . . 0.0 109.628 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.85 100.8 2.7 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' CD ' HH21 ' A' ' 99' ' ' ARG . 0.0 OUTLIER -86.73 -166.61 1.61 Allowed 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 173.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -72.27 47.79 0.17 Allowed 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.217 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.652 ' O ' ' N ' ' A' ' 102' ' ' LEU . . . -84.01 -61.63 0.29 Allowed Pre-proline 0 C--O 1.197 -1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.875 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.581 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -42.8 37.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 0 C-N-CA 125.256 3.971 . . . . 0.0 116.423 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.652 ' N ' ' O ' ' A' ' 100' ' ' ALA . 59.7 mt -135.64 8.69 3.34 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 48.13 48.65 18.28 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.55 0.69 . . . . 0.0 110.39 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' A' ' 99' ' ' ARG . 5.3 mtmm -75.64 147.23 39.68 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.131 -0.981 . . . . 0.0 108.731 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -142.39 157.73 44.47 Favored 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.325 -0.859 . . . . 0.0 108.994 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 150.43 81.64 0.03 OUTLIER Glycine 0 C--N 1.284 -2.324 0 N-CA-C 106.215 -2.754 . . . . 0.0 106.215 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.055 1 N-CA-C 102.398 -4.281 . . . . 0.0 102.398 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' SD ' ' A' ' 3' ' ' MET . . . -55.82 147.12 19.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -1.037 . . . . 0.0 108.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.51 ' SD ' ' HB1' ' A' ' 2' ' ' ALA . 46.8 mtp -71.89 61.41 0.41 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . -37.83 132.44 0.93 Allowed 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 121.016 0.436 . . . . 0.0 111.028 -175.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 7' ' ' GLY . . . -70.25 58.56 0.84 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 4' ' ' ALA . 9.4 t70 -67.28 73.89 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 5' ' ' GLY . . . -94.7 158.16 22.58 Favored Glycine 0 C--N 1.287 -2.153 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.9 136.46 3.58 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 121.026 -1.279 . . . . 0.0 108.285 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.4 117.2 22.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.15 -0.969 . . . . 0.0 108.699 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -65.99 145.49 55.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.566 HD12 ' O ' ' B' ' 11' ' ' LEU . 2.0 pp -55.48 166.61 0.61 Allowed 'General case' 0 C--N 1.284 -2.24 0 CA-C-O 122.107 0.956 . . . . 0.0 110.874 -176.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.58 -134.79 0.25 Allowed 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' B' ' 29' ' ' ASN . 21.6 ttm105 61.76 111.8 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.499 0.666 . . . . 0.0 112.256 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' B' ' 16' ' ' SER . 11.6 t0 -104.45 -172.82 2.17 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -75.6 55.64 0.85 Allowed 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.539 ' O ' ' N ' ' B' ' 18' ' ' THR . 0.8 OUTLIER -67.16 56.95 0.05 OUTLIER 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.097 -176.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' B' ' 19' ' ' TYR . 40.9 mt-10 -67.0 64.9 0.06 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.725 HG23 ' HB3' ' B' ' 23' ' ' HIS . 25.5 m -40.6 93.36 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.359 0.599 . . . . 0.0 110.669 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.588 ' O ' ' N ' ' B' ' 21' ' ' ARG . 61.9 t80 -68.95 -168.95 0.15 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' B' ' 19' ' ' TYR . 30.5 mt-10 -63.49 55.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' B' ' 19' ' ' TYR . 2.4 mmp_? -138.91 153.15 48.23 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.353 -0.842 . . . . 0.0 109.331 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' B' ' 24' ' ' THR . 0.1 OUTLIER -72.02 54.72 0.28 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.725 ' HB3' HG23 ' B' ' 18' ' ' THR . 5.5 t-80 -65.54 66.7 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.246 -0.909 . . . . 0.0 109.088 -178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.835 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.3 m -51.05 -25.69 5.26 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' B' ' 29' ' ' ASN . 6.0 mm-40 -50.89 -65.63 0.52 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.577 -0.702 . . . . 0.0 109.725 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.472 ' C ' ' SD ' ' B' ' 30' ' ' MET . 0.7 OUTLIER -45.91 -46.2 15.85 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.444 -0.785 . . . . 0.0 110.173 -177.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 27' ' ' LEU . 49.1 mt -49.32 -51.01 36.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.835 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -84.44 -30.77 25.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 118.573 -1.251 . . . . 0.0 110.485 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' ARG . 19.9 m-80 -82.47 -4.84 58.16 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.392 -1.443 . . . . 0.0 110.782 -175.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' B' ' 26' ' ' SER . 19.8 mtp -89.51 160.28 16.81 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.848 -1.158 . . . . 0.0 108.662 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.433 ' H ' ' HG ' ' B' ' 31' ' ' SER . 0.9 OUTLIER -88.24 145.73 25.72 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.746 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -48.59 -45.85 38.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 110.613 -174.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 1.7 pp0? -55.65 -38.61 69.8 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.56 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' B' ' 13' ' ' ARG . 5.8 mt-10 -67.09 -52.18 45.14 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 32' ' ' LYS . 6.5 mt -53.11 -51.58 61.44 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 28' ' ' GLN . 90.1 mt -53.32 -51.21 42.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.348 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 0.7 OUTLIER -56.2 -48.12 77.03 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.017 -1.052 . . . . 0.0 110.276 179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.85 -26.99 63.51 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.167 -1.413 . . . . 0.0 110.134 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.419 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.1 m-85 -57.16 -46.04 83.11 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.501 -0.749 . . . . 0.0 109.004 173.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.7 mt -58.88 -45.44 90.19 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.46 -59.8 3.91 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.466 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 1.103 HD23 HD23 ' A' ' 42' ' ' LEU . 2.7 tp -53.56 -41.01 66.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -50.86 71.87 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -53.51 -48.39 69.04 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 17.2 m -56.08 -62.36 1.76 Allowed 'General case' 0 C--O 1.199 -1.594 0 O-C-N 121.874 -0.516 . . . . 0.0 109.701 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 42' ' ' LEU . 7.1 tp -55.63 -37.61 68.41 Favored 'General case' 0 C--O 1.189 -2.096 0 O-C-N 121.114 -0.991 . . . . 0.0 109.772 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -60.91 -53.18 60.45 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.967 -1.083 . . . . 0.0 108.523 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -57.27 -52.85 63.69 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 38.4 mmm -59.03 -18.62 36.33 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.212 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.97 -51.04 7.94 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' B' ' 55' ' ' ARG . 1.2 m-20 -54.42 -43.61 71.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 174.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.465 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 41.5 mm-40 -64.73 -59.91 3.71 Favored 'General case' 0 C--O 1.183 -2.429 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.48 ' ND2' HD21 ' A' ' 53' ' ' ASN . 7.3 m-80 -45.41 -47.12 13.69 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 111.075 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -57.42 -57.73 11.38 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -64.67 -65.25 0.7 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 56' ' ' LEU . 17.8 mt -34.94 -53.29 0.56 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 123.074 0.55 . . . . 0.0 111.211 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.503 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 1.4 mmm180 -61.06 -52.12 66.28 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.49 -0.756 . . . . 0.0 109.012 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.85 -46.74 89.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.492 ' O ' HD21 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -66.16 -57.08 8.43 Favored 'General case' 0 C--N 1.277 -2.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.185 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 56' ' ' LEU . 64.0 p -52.9 -47.44 67.92 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.531 -0.73 . . . . 0.0 109.674 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.35 -17.37 7.64 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -109.57 35.2 3.41 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.931 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -53.14 107.32 0.22 Allowed 'General case' 0 N--CA 1.482 1.149 0 O-C-N 121.326 -0.859 . . . . 0.0 109.178 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.18 -167.08 30.12 Favored Glycine 0 C--N 1.281 -2.488 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.85 0.38 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.459 ' HB3' HG21 ' A' ' 70' ' ' VAL . 2.3 m-20 -63.0 -6.25 3.72 Favored 'General case' 0 N--CA 1.511 2.606 0 O-C-N 120.967 -1.314 . . . . 0.0 110.717 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -32.27 3.06 Favored 'General case' 0 N--CA 1.508 2.44 0 O-C-N 121.182 -0.949 . . . . 0.0 110.629 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.43 50.51 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 4.3 tpp180 -59.92 -44.68 94.18 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 73' ' ' LEU . 53.6 t -51.44 -54.46 11.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.482 HH21 ' CD ' ' B' ' 74' ' ' GLU . 1.4 tpm_? -58.09 -41.66 83.95 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.328 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' B' ' 75' ' ' LEU . 16.7 mt-10 -59.92 -42.0 92.97 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 118.959 -1.096 . . . . 0.0 108.347 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 77' ' ' LEU . 69.2 mt -67.64 -37.75 82.88 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.509 -0.876 . . . . 0.0 108.892 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.482 ' CD ' HH21 ' B' ' 71' ' ' ARG . 40.4 mt-10 -57.55 -47.07 83.04 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.8 mt -65.96 -39.86 90.79 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.611 ' CD ' HH21 ' B' ' 79' ' ' ARG . 9.9 tp10 -63.92 -38.76 92.26 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.719 -1.238 . . . . 0.0 107.984 176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 80' ' ' LEU . 20.9 mt -62.22 -43.45 98.8 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.61 -42.27 82.96 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.611 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.0 ttp180 -58.19 -54.32 48.35 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 77' ' ' LEU . 19.0 mt -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.318 -0.864 . . . . 0.0 108.962 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.81 83.85 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.78 -56.08 5.78 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 37.9 m-80 -49.51 -47.33 48.82 Favored 'General case' 0 C--O 1.187 -2.207 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.382 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.97 -55.4 35.36 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -44.22 82.97 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 12.1 mt -72.15 -51.21 22.38 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 121.194 -0.941 . . . . 0.0 110.001 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -58.13 -51.3 70.27 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -45.17 77.45 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.571 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' NH2' ' A' ' 95' ' ' ARG . 2.5 mt-10 -68.94 -41.48 77.98 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.383 -0.823 . . . . 0.0 109.43 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.463 ' OD1' ' NH2' ' B' ' 95' ' ' ARG . 65.3 t30 -57.84 -49.15 77.63 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.496 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 24.6 mt-10 -55.91 -47.19 77.92 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.435 ' HA ' HE22 ' B' ' 97' ' ' GLN . 2.2 mt -56.28 -51.12 69.36 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.278 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.432 ' HA ' ' CG ' ' B' ' 98' ' ' GLU . 25.7 t60 -64.88 -41.67 95.45 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.134 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.463 ' NH2' ' OD1' ' B' ' 91' ' ' ASN . 0.0 OUTLIER -70.11 -47.77 60.4 Favored 'General case' 0 C--N 1.287 -2.118 0 O-C-N 121.5 -0.75 . . . . 0.0 109.333 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 29.1 mt-30 -73.47 -66.95 0.63 Allowed 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.435 HE22 ' HA ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -150.17 102.34 3.08 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.823 -0.548 . . . . 0.0 109.554 -176.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.53 ' CD ' HH21 ' B' ' 99' ' ' ARG . 0.0 OUTLIER -86.98 -166.33 1.54 Allowed 'General case' 0 C--N 1.288 -2.096 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 173.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.562 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -72.77 52.36 0.3 Allowed 'General case' 0 C--N 1.283 -2.314 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 175.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.675 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -88.21 -63.79 0.21 Allowed Pre-proline 0 C--N 1.293 -1.853 0 O-C-N 121.624 -0.672 . . . . 0.0 109.704 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.675 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 2.1 Cg_endo -42.86 32.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.516 2.809 0 C-N-CA 124.939 3.759 . . . . 0.0 116.668 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.639 ' N ' ' O ' ' B' ' 100' ' ' ALA . 76.9 mt -127.55 10.44 6.67 Favored 'General case' 0 C--N 1.262 -3.204 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.32 49.03 13.25 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.667 0.746 . . . . 0.0 109.772 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' B' ' 99' ' ' ARG . 2.1 mtmm -77.43 153.69 33.35 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 75.5 t80 -145.44 168.22 21.08 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 141.86 70.83 0.03 OUTLIER Glycine 0 C--N 1.279 -2.597 0 N-CA-C 106.683 -2.567 . . . . 0.0 106.683 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.917 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 3' ' ' MET . . . . . . . . 0 CA--C 1.537 1.462 1 N-CA-C 102.739 -4.144 . . . . 0.0 102.739 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -69.5 77.84 0.41 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.696 -1.473 . . . . 0.0 108.862 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -69.03 55.45 0.09 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.306 -0.871 . . . . 0.0 109.264 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -64.44 133.47 52.58 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.112 -0.992 . . . . 0.0 110.161 -177.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' ASP . . . -92.52 -13.63 56.74 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 6.4 p-10 12.39 -107.24 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 C-N-CA 124.149 0.98 . . . . 0.0 113.183 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.53 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 69.3 -72.48 0.44 Allowed Glycine 0 C--N 1.294 -1.782 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m 53.16 54.55 10.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.606 -0.937 . . . . 0.0 108.514 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 94.7 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.713 -0.617 . . . . 0.0 110.008 -177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.16 152.43 41.19 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD13 ' NH2' ' A' ' 13' ' ' ARG . 4.1 mp -114.47 125.1 53.44 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.373 -0.829 . . . . 0.0 109.504 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.51 52.31 0.1 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' NH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.3 116.65 12.71 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 178.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' SER . 8.6 t70 -95.55 126.73 41.04 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -71.42 55.68 0.23 Allowed 'General case' 0 C--N 1.285 -2.201 0 O-C-N 121.199 -0.938 . . . . 0.0 109.01 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -82.56 166.68 19.05 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.07 109.16 10.96 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -105.28 -159.18 0.7 Allowed 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -98.5 128.34 44.81 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mp0 -99.42 63.43 1.27 Allowed 'General case' 0 C--N 1.259 -3.328 0 CA-C-O 121.955 0.884 . . . . 0.0 108.721 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 20' ' ' GLU . 2.0 mmm180 -125.61 118.98 26.86 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.47 -51.06 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 122.856 0.463 . . . . 0.0 111.067 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' ARG . 49.2 m80 -44.67 102.57 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.533 -0.729 . . . . 0.0 110.225 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -58.6 -52.3 66.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.29 -0.881 . . . . 0.0 108.836 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -35.14 -65.3 0.23 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.373 -0.829 . . . . 0.0 110.906 177.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.54 -41.52 41.53 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 121.285 0.564 . . . . 0.0 110.289 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 84.8 mt -61.61 -45.27 94.8 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HA ' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -80.24 -17.79 51.27 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 117.932 -1.507 . . . . 0.0 109.828 -179.536 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -90.06 1.7 56.06 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 121.761 -0.587 . . . . 0.0 110.448 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.403 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 1.9 mtm -86.74 159.98 18.97 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.66 144.56 26.2 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 30' ' ' MET . 0.0 OUTLIER -44.53 -45.6 9.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.696 -0.627 . . . . 0.0 109.723 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -58.49 -31.98 68.36 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.43 -0.793 . . . . 0.0 110.017 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 29.4 mt-10 -69.58 -68.12 0.43 Allowed 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.89 -40.23 9.75 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.738 0.78 . . . . 0.0 110.071 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' B' ' 28' ' ' GLN . 92.7 mt -69.58 -50.41 50.78 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.395 0 O-C-N 120.786 -1.196 . . . . 0.0 108.967 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -56.32 -47.89 77.81 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.403 -0.81 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.0 pt-20 -64.6 -33.42 75.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 118.182 -1.407 . . . . 0.0 110.1 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -56.85 -44.21 81.91 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.321 -0.951 . . . . 0.0 112.124 173.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.04 -36.39 77.17 Favored 'General case' 0 C--N 1.284 -2.254 0 C-N-CA 118.223 -1.391 . . . . 0.0 108.675 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.03 -60.25 2.35 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.075 -1.05 . . . . 0.0 108.714 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.11 -54.82 9.58 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.361 0.6 . . . . 0.0 109.457 -178.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' OE2' ' NH1' ' B' ' 21' ' ' ARG . 2.0 mm-40 -55.64 -52.11 64.92 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.782 -0.573 . . . . 0.0 109.46 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -53.78 -47.62 70.58 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 118.827 -1.149 . . . . 0.0 108.615 177.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 m -54.2 -62.12 1.86 Allowed 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.675 -0.641 . . . . 0.0 109.433 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.93 -35.88 64.68 Favored 'General case' 0 C--O 1.182 -2.475 0 O-C-N 121.014 -1.054 . . . . 0.0 109.686 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -66.26 -50.37 63.97 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.177 -0.952 . . . . 0.0 109.373 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -60.75 -45.6 93.67 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.408 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 17.5 mmm -66.83 -16.26 64.16 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.972 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.94 -48.19 12.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.94 -46.89 78.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.96 -54.73 37.69 Favored 'General case' 0 C--O 1.185 -2.291 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.573 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 4.9 m-80 -46.58 -46.51 19.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.231 -0.918 . . . . 0.0 110.182 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -56.62 -60.72 3.14 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.896 -0.502 . . . . 0.0 110.085 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.95 -65.69 0.65 Allowed 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' B' ' 56' ' ' LEU . 19.7 mt -34.31 -55.28 0.52 Allowed 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 123.252 0.621 . . . . 0.0 111.094 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.573 ' NH1' ' OD1' ' A' ' 53' ' ' ASN . 10.8 mtm-85 -61.07 -45.14 95.94 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 109.744 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.87 -43.45 92.91 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.9 -1.125 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -67.79 -47.18 69.85 Favored 'General case' 0 C--N 1.264 -3.126 0 O-C-N 121.213 -0.929 . . . . 0.0 108.845 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.0 p -67.7 -46.37 72.45 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 121.685 -0.634 . . . . 0.0 110.587 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -34.91 67.04 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH2' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -80.01 33.67 0.28 Allowed 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.499 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' B' ' 63' ' ' LEU . 9.3 mt -71.24 49.67 0.15 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.704 -1.247 . . . . 0.0 108.889 174.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.555 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . -132.06 110.54 0.96 Allowed Glycine 0 C--N 1.278 -2.673 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -150.47 157.48 27.22 Favored Glycine 0 C--N 1.27 -3.139 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.4 OUTLIER 69.13 -16.01 0.25 Allowed 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 118.209 1.004 . . . . 0.0 110.261 -176.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.2 p30 -49.86 -31.34 11.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.46 -0.775 . . . . 0.0 108.946 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.62 -34.98 53.14 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' NH2' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -67.67 -46.49 72.21 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 66' ' ' ASP . 38.8 t -52.55 -58.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -56.89 -44.02 81.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 75' ' ' LEU . 1.2 mm-40 -60.55 -40.52 91.87 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 118.736 -1.186 . . . . 0.0 108.429 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD21 ' NH2' ' A' ' 69' ' ' ARG . 59.6 mt -67.23 -41.17 86.13 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.587 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HG2' HD13 ' B' ' 73' ' ' LEU . 1.8 mt-10 -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.833 -1.167 . . . . 0.0 108.326 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 72' ' ' GLU . 17.1 mt -61.41 -44.55 96.95 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB3' HD21 ' B' ' 77' ' ' LEU . 4.8 tp10 -60.4 -41.21 93.39 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD23 HD12 ' B' ' 80' ' ' LEU . 24.5 mt -62.59 -50.88 69.53 Favored 'General case' 0 C--O 1.193 -1.87 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.415 ' OD1' ' NH1' ' A' ' 81' ' ' ARG . 11.3 m-20 -58.75 -38.05 77.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 28.3 ttm180 -58.45 -56.7 18.69 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.523 HD22 ' ND2' ' B' ' 84' ' ' ASN . 12.5 mt -58.19 -39.02 77.86 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH1' ' OD1' ' A' ' 78' ' ' ASP . 21.0 mtp-105 -60.82 -37.45 82.03 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.76 -52.76 64.08 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.55 -48.82 80.17 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.708 ' ND2' HD22 ' B' ' 80' ' ' LEU . 25.0 m-80 -52.68 -49.51 65.14 Favored 'General case' 0 C--O 1.194 -1.857 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.51 -53.89 53.0 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -50.38 59.32 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.188 0.518 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 4.5 mt -71.4 -51.03 26.23 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.252 -0.905 . . . . 0.0 110.553 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -59.68 -48.48 81.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.284 -0.885 . . . . 0.0 108.964 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -42.97 75.08 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.46 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -41.48 98.3 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 95' ' ' ARG . 20.9 t-20 -58.28 -50.41 73.7 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.453 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 34.4 mt-10 -57.17 -43.78 82.9 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.022 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB3' ' CG ' ' A' ' 99' ' ' ARG . 3.2 mt -63.3 -56.09 19.36 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.789 -1.194 . . . . 0.0 108.898 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.0 -34.26 63.28 Favored 'General case' 0 C--N 1.277 -2.565 0 N-CA-C 109.128 -0.694 . . . . 0.0 109.128 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -76.62 -46.06 27.56 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 33.1 mt-30 -85.3 -66.56 0.88 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.541 -0.724 . . . . 0.0 112.292 -173.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.9 -174.71 3.12 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.434 -0.791 . . . . 0.0 109.278 -173.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE1' ' NH1' ' A' ' 99' ' ' ARG . 0.2 OUTLIER 60.73 -171.69 0.14 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.634 -0.666 . . . . 0.0 109.305 178.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 46.96 38.51 6.3 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -142.07 -60.47 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.956 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.723 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 11.9 Cg_endo -56.14 42.79 0.04 OUTLIER 'Trans proline' 0 CA--C 1.554 1.482 0 C-N-CA 123.37 2.713 . . . . 0.0 112.448 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -142.51 16.1 2.01 Favored 'General case' 0 C--N 1.281 -2.404 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.4 m 63.06 -115.65 0.48 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.369 -0.832 . . . . 0.0 108.787 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER 65.44 -57.95 0.3 Allowed 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 103' ' ' SER . 2.7 m-85 62.08 -46.29 0.16 Allowed 'General case' 0 N--CA 1.512 2.675 0 CA-C-O 121.153 0.502 . . . . 0.0 110.883 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 130.32 -136.88 9.14 Favored Glycine 0 C--N 1.278 -2.674 0 N-CA-C 104.243 -3.543 . . . . 0.0 104.243 -172.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.185 -2.304 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 173.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.478 1.447 1 N-CA-C 102.204 -4.358 . . . . 0.0 102.204 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -67.61 70.35 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.834 -1.392 . . . . 0.0 109.061 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.452 ' N ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -66.89 57.5 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.362 -0.837 . . . . 0.0 109.142 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -65.78 140.38 58.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.574 -0.704 . . . . 0.0 109.933 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.16 41.83 2.09 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 106.268 -2.733 . . . . 0.0 106.268 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' B' ' 8' ' ' SER . 0.9 OUTLIER -51.29 -96.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.952 -0.734 . . . . 0.0 111.048 -175.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.44 -71.68 0.64 Allowed Glycine 0 C--N 1.283 -2.381 0 N-CA-C 108.515 -1.834 . . . . 0.0 108.515 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.422 ' N ' ' O ' ' B' ' 6' ' ' ASP . 2.5 m 49.27 65.6 1.34 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.34 -1.094 . . . . 0.0 108.744 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.17 95.86 0.19 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.55 -0.719 . . . . 0.0 110.084 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.34 163.42 17.86 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.436 HD22 ' NH1' ' B' ' 13' ' ' ARG . 4.7 mp -125.28 123.89 40.45 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 121.146 -0.971 . . . . 0.0 110.055 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -70.42 69.63 0.4 Allowed 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.436 ' NH1' HD22 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -156.86 119.43 3.98 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 16' ' ' SER . 13.0 t70 -100.39 125.92 46.7 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -69.02 50.07 0.08 Allowed 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.487 -0.758 . . . . 0.0 109.35 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER -76.71 165.08 25.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -127.98 89.56 2.95 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 -166.66 1.65 Allowed 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -94.52 131.58 40.09 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 171.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.545 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 2.4 mp0 -99.79 61.7 1.15 Allowed 'General case' 0 C--N 1.26 -3.306 0 CA-C-O 121.953 0.882 . . . . 0.0 109.344 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 1.4 mmm180 -123.28 117.0 24.27 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.95 -40.56 0.11 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.976 -0.452 . . . . 0.0 111.59 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' B' ' 21' ' ' ARG . 38.8 m80 -58.09 89.6 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.468 -0.77 . . . . 0.0 110.181 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.569 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -46.94 -55.72 7.6 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 122.029 -0.419 . . . . 0.0 110.591 -179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -34.95 -64.06 0.29 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.361 -0.837 . . . . 0.0 110.476 177.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.464 ' HB2' ' HG3' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -49.56 -42.7 44.96 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-O 121.36 0.6 . . . . 0.0 110.055 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 27' ' ' LEU . 79.2 mt -59.85 -45.46 92.35 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.71 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.76 -19.15 49.36 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 117.997 -1.481 . . . . 0.0 109.544 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 25' ' ' GLU . 7.7 m-80 -87.85 0.96 55.14 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 122.063 -0.398 . . . . 0.0 110.285 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.46 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 2.3 mtm -86.99 158.5 19.24 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.41 140.32 29.58 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -39.88 -45.93 1.91 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.146 0.498 . . . . 0.0 109.702 -177.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -56.59 -39.61 73.85 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 121.734 -0.604 . . . . 0.0 110.115 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 29.6 mt-10 -64.58 -64.62 0.83 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -48.19 -40.65 24.85 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.835 0.826 . . . . 0.0 109.436 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 28' ' ' GLN . 85.2 mt -68.74 -50.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 O-C-N 121.139 -0.976 . . . . 0.0 108.77 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -56.02 -46.66 78.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.434 -0.791 . . . . 0.0 109.672 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 2.6 pt-20 -65.98 -35.47 80.68 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 118.449 -1.3 . . . . 0.0 109.548 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.559 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 4.0 m-85 -52.89 -45.09 67.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.619 -1.3 . . . . 0.0 111.979 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 11.1 mt -60.52 -36.2 77.82 Favored 'General case' 0 C--N 1.286 -2.191 0 C-N-CA 118.227 -1.389 . . . . 0.0 108.661 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.76 -61.04 1.95 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.844 -1.16 . . . . 0.0 108.547 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -48.66 -55.37 11.5 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 123.539 0.736 . . . . 0.0 109.737 -178.12 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.29 -52.92 59.92 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -54.21 -46.26 72.43 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.541 178.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -54.65 -62.96 1.32 Allowed 'General case' 0 C--O 1.201 -1.493 0 O-C-N 121.728 -0.608 . . . . 0.0 109.595 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.76 -34.59 62.77 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.844 -1.16 . . . . 0.0 109.597 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 5.4 m -66.05 -53.27 40.49 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.979 -1.076 . . . . 0.0 108.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' B' ' 44' ' ' LYS . 24.7 mtp180 -58.41 -45.79 87.71 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.443 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 15.2 mmm -67.04 -15.68 63.88 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.688 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.46 -48.72 10.75 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.86 -43.21 80.94 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.26 -57.16 9.15 Favored 'General case' 0 C--O 1.188 -2.181 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.565 ' OD1' ' NH1' ' B' ' 57' ' ' ARG . 3.7 m-80 -46.16 -44.92 16.33 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.383 -0.823 . . . . 0.0 109.685 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -57.6 -61.35 2.57 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -62.46 -64.82 0.81 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 20.2 mt -34.6 -55.57 0.54 Allowed 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 123.188 0.595 . . . . 0.0 110.94 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.565 ' NH1' ' OD1' ' B' ' 53' ' ' ASN . 26.5 mtm-85 -60.67 -44.11 96.86 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.727 -0.608 . . . . 0.0 109.995 -177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.0 -48.57 73.48 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 121.008 -1.057 . . . . 0.0 108.557 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -61.08 -44.17 97.77 Favored 'General case' 0 C--N 1.279 -2.462 0 CA-C-O 121.53 0.681 . . . . 0.0 109.645 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 7.1 p -70.89 -46.25 62.89 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.723 -0.611 . . . . 0.0 110.522 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -30.14 64.21 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.538 ' NH2' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -85.45 33.31 0.56 Allowed 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.632 177.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 63' ' ' LEU . 9.6 mt -70.53 50.15 0.12 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.755 -1.216 . . . . 0.0 108.867 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.538 ' O ' ' NH2' ' B' ' 62' ' ' ARG . . . -129.35 104.84 0.65 Allowed Glycine 0 C--N 1.276 -2.75 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . -142.53 157.31 26.61 Favored Glycine 0 C--N 1.278 -2.655 0 N-CA-C 107.504 -2.239 . . . . 0.0 107.504 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.646 ' O ' HG23 ' B' ' 70' ' ' VAL . 1.6 m-20 66.15 -13.85 0.15 Allowed 'General case' 0 N--CA 1.508 2.467 0 O-C-N 122.215 -0.579 . . . . 0.0 110.54 -175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' B' ' 65' ' ' GLY . 5.1 p-10 -49.88 -31.96 13.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -36.53 57.78 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.556 ' NH2' HD21 ' B' ' 73' ' ' LEU . 1.1 tpt180 -65.63 -48.98 70.36 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 175.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 66' ' ' ASP . 40.8 t -50.5 -56.58 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.447 HH11 ' CG ' ' B' ' 72' ' ' GLU . 3.4 tmm_? -57.94 -45.0 87.28 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.716 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.447 ' CG ' HH11 ' B' ' 71' ' ' ARG . 2.5 mt-10 -61.65 -38.57 88.23 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.747 -1.181 . . . . 0.0 108.363 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.556 HD21 ' NH2' ' B' ' 69' ' ' ARG . 76.0 mt -66.26 -43.66 85.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' ' 73' ' ' LEU . 2.1 mt-10 -61.9 -45.74 92.42 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.138 -0.976 . . . . 0.0 108.754 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' B' ' 72' ' ' GLU . 16.8 mt -60.36 -40.83 92.16 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.487 ' OE2' ' NH1' ' B' ' 79' ' ' ARG . 5.0 tp10 -64.93 -41.27 95.67 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 73' ' ' LEU . 22.8 mt -61.91 -51.28 68.78 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -38.64 70.41 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.487 ' NH1' ' OE2' ' B' ' 76' ' ' GLU . 27.1 ttm180 -60.87 -52.49 64.82 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.708 HD22 ' ND2' ' A' ' 84' ' ' ASN . 13.3 mt -60.26 -38.61 84.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.093 -1.004 . . . . 0.0 108.535 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' B' ' 81' ' ' ARG . 12.8 mtp-105 -61.81 -38.04 86.66 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.64 -56.19 25.01 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -47.79 79.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.53 HD21 ' ND2' ' A' ' 84' ' ' ASN . 10.6 m-80 -52.88 -50.03 64.67 Favored 'General case' 0 C--O 1.189 -2.085 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' B' ' 89' ' ' THR . 1.3 tp -57.23 -52.19 66.31 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -51.21 60.6 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 121.053 0.454 . . . . 0.0 110.126 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 3.5 mt -70.77 -50.06 39.94 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.571 -0.706 . . . . 0.0 110.097 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -52.08 66.06 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.217 -0.927 . . . . 0.0 109.189 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.47 ' HB ' HD12 ' B' ' 85' ' ' LEU . 0.6 OUTLIER -54.06 -39.0 65.86 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' B' ' 99' ' ' ARG . 0.9 OUTLIER -66.32 -41.65 89.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -59.08 -49.75 76.67 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.433 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 50.5 mt-10 -56.1 -45.37 79.46 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.802 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.539 ' HB3' ' CG ' ' B' ' 99' ' ' ARG . 5.5 mt -61.24 -55.3 33.62 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 120.723 -1.235 . . . . 0.0 109.085 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.469 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 0.4 OUTLIER -55.35 -33.6 63.53 Favored 'General case' 0 C--N 1.28 -2.434 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.312 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -78.77 -46.22 19.32 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 15.3 mt-30 -83.81 -65.27 1.03 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.766 -0.584 . . . . 0.0 111.331 -174.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.38 -174.7 2.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.45 ' HB3' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER 63.02 -168.88 0.19 Allowed 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.539 ' CG ' ' HB3' ' B' ' 93' ' ' LEU . 0.5 OUTLIER 47.38 35.63 4.17 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.733 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -139.32 -61.29 0.02 OUTLIER Pre-proline 0 C--N 1.287 -2.117 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.733 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 11.1 Cg_endo -54.95 38.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 123.754 2.969 . . . . 0.0 113.053 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -137.7 15.62 2.91 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' B' ' 105' ' ' PHE . 2.3 m 62.89 -114.12 0.46 Allowed 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 106' ' ' GLY . 0.0 OUTLIER 64.49 -54.46 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.24 -0.912 . . . . 0.0 109.192 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' B' ' 103' ' ' SER . 1.6 m-85 60.96 -66.11 0.06 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 155.28 -108.02 0.35 Allowed Glycine 0 C--N 1.277 -2.735 0 N-CA-C 104.843 -3.303 . . . . 0.0 104.843 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.186 -2.246 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 171.559 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 1 N-CA-C 102.536 -4.226 . . . . 0.0 102.536 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.59 149.29 26.06 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.93 -1.336 . . . . 0.0 107.82 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 80.07 0.17 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.399 -0.813 . . . . 0.0 109.65 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . . . -66.58 120.99 14.38 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.54 40.05 0.24 Allowed Glycine 0 C--N 1.286 -2.227 0 C-N-CA 119.171 -1.49 . . . . 0.0 109.761 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -48.73 115.57 1.3 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.561 -0.964 . . . . 0.0 108.428 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.24 16.1 3.1 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -90.83 77.76 6.18 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.064 -1.257 . . . . 0.0 107.665 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 3.8 mm-40 -63.14 121.83 14.62 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.488 -0.758 . . . . 0.0 109.449 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -76.28 170.93 15.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 mp -56.82 112.63 1.37 Allowed 'General case' 0 C--N 1.291 -1.97 0 O-C-N 121.496 -0.753 . . . . 0.0 110.118 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' A' ' 9' ' ' GLU . 21.3 mp0 -61.32 88.98 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 42.92 98.11 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 123.241 0.616 . . . . 0.0 111.004 -177.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 16' ' ' SER . 11.6 p-10 -36.99 -28.7 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 122.333 0.253 . . . . 0.0 110.743 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' ARG . 12.2 m-85 -58.89 71.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 14' ' ' ASP . 1.1 m -70.49 60.1 0.21 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.5 mm-40 65.13 145.24 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.512 0.672 . . . . 0.0 109.696 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 19' ' ' TYR . 2.0 t -95.84 -134.77 0.21 Allowed 'General case' 0 C--N 1.276 -2.605 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' N ' ' OG1' ' A' ' 18' ' ' THR . 1.5 p90 -65.37 -173.9 0.16 Allowed 'General case' 0 C--N 1.262 -3.232 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 38.79 62.83 0.99 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.763 0.792 . . . . 0.0 111.083 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -78.7 126.79 31.21 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.8 66.83 0.78 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.42 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 50.75 -90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.719 -0.613 . . . . 0.0 110.932 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.724 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -43.62 -53.87 5.39 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.973 -0.454 . . . . 0.0 110.492 -177.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.2 mt-10 -34.91 -61.18 0.42 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.594 -0.691 . . . . 0.0 109.616 178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.61 36.17 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.899 -0.501 . . . . 0.0 110.759 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' B' ' 39' ' ' TYR . 40.9 mt -60.11 -47.97 83.68 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.777 ' HG3' HD13 ' B' ' 36' ' ' ILE . 4.3 mp0 -69.89 -32.56 70.95 Favored 'General case' 0 C--N 1.281 -2.403 0 O-C-N 121.11 -0.994 . . . . 0.0 110.003 176.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' GLU . 32.7 m-80 -90.02 -0.39 57.56 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.721 -1.237 . . . . 0.0 112.101 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.432 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mtp -87.86 154.76 20.28 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.16 139.23 30.72 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -40.27 -45.21 2.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.719 -0.613 . . . . 0.0 111.34 -173.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.44 -39.48 70.33 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.524 -0.735 . . . . 0.0 109.907 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -64.04 -56.8 12.38 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 32' ' ' LYS . 2.1 mt -52.26 -48.53 65.2 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 122.659 1.218 . . . . 0.0 108.571 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.795 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.7 mt -56.86 -55.25 21.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 O-C-N 120.991 -1.068 . . . . 0.0 108.899 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -43.69 72.45 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.075 -1.015 . . . . 0.0 110.334 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.11 -30.42 65.05 Favored 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 118.37 -1.332 . . . . 0.0 110.354 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CD2' HD22 ' B' ' 27' ' ' LEU . 7.1 m-85 -53.37 -44.92 68.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.762 -1.211 . . . . 0.0 109.999 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' A' ' 44' ' ' LYS . 12.0 mt -61.91 -50.3 72.74 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.399 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -59.88 4.67 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 118.879 -1.128 . . . . 0.0 108.593 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -48.07 -58.01 5.04 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.415 0.626 . . . . 0.0 109.548 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.77 -47.99 80.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.492 -0.755 . . . . 0.0 109.608 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' LEU . 2.3 mptp? -59.39 -40.48 86.73 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 120.832 -1.167 . . . . 0.0 108.665 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.65 -59.34 5.6 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.57 -35.47 65.79 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.264 -0.897 . . . . 0.0 109.22 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -61.53 -54.4 43.63 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.082 -1.011 . . . . 0.0 108.633 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.9 mtp-105 -55.74 -48.83 74.55 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 31.1 mmm -62.45 -20.98 65.08 Favored 'General case' 0 C--O 1.189 -2.116 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.935 -178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.54 -44.11 19.61 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.97 -53.71 53.94 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 23.7 mt-10 -59.77 -51.08 71.3 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.602 HD21 ' ND2' ' B' ' 53' ' ' ASN . 9.3 m-80 -50.65 -47.07 58.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.946 . . . . 0.0 110.001 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.1 -55.89 17.91 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -64.28 -65.63 0.65 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' B' ' 56' ' ' LEU . 24.3 mt -35.75 -54.93 0.72 Allowed 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 123.433 0.693 . . . . 0.0 111.493 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HE ' ' HB3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -57.77 -42.87 84.94 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.4 mt -73.2 -40.18 64.95 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 109.291 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -74.0 -55.16 6.47 Favored 'General case' 0 C--N 1.27 -2.868 0 O-C-N 121.518 -0.739 . . . . 0.0 110.787 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 p -48.76 -46.61 41.43 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.297 -0.877 . . . . 0.0 111.157 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -61.42 -27.83 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.908 -1.12 . . . . 0.0 108.204 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' GLY . 22.1 tpp180 -80.54 26.69 0.38 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' B' ' 63' ' ' LEU . 6.9 mt -75.1 60.81 1.05 Allowed 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -166.67 64.66 0.21 Allowed Glycine 0 C--N 1.289 -2.062 0 N-CA-C 105.277 -3.129 . . . . 0.0 105.277 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.18 -52.08 0.61 Allowed Glycine 0 N--CA 1.484 1.846 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ARG . 1.1 m-20 -69.39 -19.14 63.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.798 -1.413 . . . . 0.0 109.917 -178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -26.8 4.27 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.524 -0.735 . . . . 0.0 110.607 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.15 -38.45 60.95 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -61.75 -47.24 86.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 174.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG13 ' CD1' ' B' ' 73' ' ' LEU . 66.8 t -51.88 -56.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -41.51 69.37 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.85 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 75' ' ' LEU . 2.6 mt-10 -59.55 -41.64 90.56 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' CD1' HG13 ' B' ' 70' ' ' VAL . 42.1 mt -70.59 -37.05 73.86 Favored 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.332 -0.855 . . . . 0.0 109.063 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.0 -44.21 91.64 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.9 mt -63.22 -46.45 86.91 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.21 -48.37 81.87 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.78 -49.12 68.94 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' OD1' ' NH1' ' A' ' 81' ' ' ARG . 31.9 m-20 -59.43 -37.0 76.96 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 tmt_? -60.54 -50.66 72.67 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.657 HD22 ' ND2' ' B' ' 84' ' ' ASN . 12.1 mt -59.36 -41.44 89.27 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.459 -0.775 . . . . 0.0 109.028 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 78' ' ' ASP . 60.5 mtp180 -59.87 -35.86 75.7 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.96 -49.24 78.44 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.507 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 2.2 mt-10 -62.45 -53.14 59.22 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.55 HD21 ' ND2' ' B' ' 84' ' ' ASN . 30.5 m-80 -49.03 -48.14 44.05 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.96 -54.94 41.26 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.429 HE21 ' C ' ' A' ' 82' ' ' ALA . 32.9 mt-30 -54.79 -41.74 70.95 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-O 121.345 0.593 . . . . 0.0 109.852 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.529 HD22 ' HG ' ' B' ' 88' ' ' LEU . 12.9 mt -74.21 -48.66 27.49 Favored 'General case' 0 C--N 1.286 -2.182 0 O-C-N 121.022 -1.049 . . . . 0.0 109.884 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -63.58 -49.7 72.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.338 -0.851 . . . . 0.0 108.76 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -43.34 62.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 120.948 -1.095 . . . . 0.0 108.754 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.28 -45.56 69.36 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.586 -0.696 . . . . 0.0 109.34 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.62 -49.56 64.87 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' CD ' HH21 ' A' ' 95' ' ' ARG . 0.4 OUTLIER -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 97' ' ' GLN . 42.9 mt -54.26 -31.74 54.4 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.795 -1.191 . . . . 0.0 109.943 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.491 ' ND1' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -80.91 -49.16 11.36 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.56 HH21 ' CD ' ' A' ' 92' ' ' GLU . 31.1 mtm105 -70.63 -32.31 69.58 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 121.96 -0.463 . . . . 0.0 111.355 -176.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' HG2' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -85.73 -23.5 27.32 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.045 -1.034 . . . . 0.0 110.049 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 1.1 mp0 -104.61 -161.93 0.85 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' OE2' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER 21.92 -86.54 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.856 0.862 . . . . 0.0 112.933 176.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.412 ' NE ' ' OE2' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.45 51.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.403 -0.81 . . . . 0.0 109.843 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -141.95 -66.03 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.698 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 6.3 Cg_exo -38.02 93.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 123.342 2.694 . . . . 0.0 112.765 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 39.03 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.312 -0.867 . . . . 0.0 110.084 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -130.79 3.02 4.46 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.054 -1.029 . . . . 0.0 108.354 179.366 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -72.65 53.62 0.32 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 107' ' ' ASP . 64.5 m-85 -61.12 -35.02 75.91 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.84 -57.62 0.99 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 105' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.233 0 CA-C-O 118.56 -0.734 . . . . 0.0 110.618 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 1 N-CA-C 102.619 -4.192 . . . . 0.0 102.619 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -49.06 144.74 4.59 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.319 -1.106 . . . . 0.0 108.888 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.18 77.21 0.05 Allowed 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.535 0.683 . . . . 0.0 109.894 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -59.81 119.63 8.05 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.94 34.74 0.62 Allowed Glycine 0 N--CA 1.495 2.614 0 C-N-CA 119.294 -1.431 . . . . 0.0 109.689 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.37 108.67 0.31 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.57 21.09 13.28 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.57 74.31 1.88 Allowed 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.0 -1.294 . . . . 0.0 108.514 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.93 123.54 17.37 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.488 -0.757 . . . . 0.0 109.074 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -75.83 176.87 7.39 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 112.7 2.89 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 120.88 -1.137 . . . . 0.0 109.588 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' B' ' 12' ' ' GLN . 21.6 mp0 -58.65 89.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.507 ' NH1' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 42.81 104.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 123.572 0.749 . . . . 0.0 111.454 -178.053 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' B' ' 16' ' ' SER . 5.1 p-10 -41.33 -22.61 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 O-C-N 121.903 -0.498 . . . . 0.0 110.859 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' O ' ' NH1' ' B' ' 13' ' ' ARG . 16.6 m-85 -66.88 67.14 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -69.1 65.66 0.15 Allowed 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.7 mm-40 60.91 144.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.909 0.862 . . . . 0.0 110.915 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' B' ' 19' ' ' TYR . 2.3 t -97.9 -135.76 0.26 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.479 ' N ' ' OG1' ' B' ' 18' ' ' THR . 2.3 p90 -60.55 -172.62 0.02 OUTLIER 'General case' 0 C--N 1.269 -2.909 0 CA-C-O 121.399 0.618 . . . . 0.0 110.513 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 35.74 56.65 0.94 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.598 0.713 . . . . 0.0 111.837 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' B' ' 23' ' ' HIS . 2.7 mtt85 -71.32 124.29 24.22 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -69.65 62.58 0.17 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.458 -0.776 . . . . 0.0 109.574 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' B' ' 21' ' ' ARG . 69.5 m-70 54.36 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 111.225 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.725 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.68 -55.12 4.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.854 -0.529 . . . . 0.0 110.083 -177.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 29' ' ' ASN . 3.3 mt-10 -34.75 -61.55 0.4 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.74 -43.54 37.62 Favored 'General case' 0 C--N 1.275 -2.649 0 O-C-N 122.046 -0.409 . . . . 0.0 110.619 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 39' ' ' TYR . 50.9 mt -59.82 -47.59 85.1 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.932 -1.105 . . . . 0.0 108.34 176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.795 ' HG3' HD13 ' A' ' 36' ' ' ILE . 4.0 mp0 -70.45 -32.57 70.18 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.065 -1.022 . . . . 0.0 109.804 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 25' ' ' GLU . 43.1 m-80 -89.6 1.16 56.35 Favored 'General case' 0 C--N 1.287 -2.146 0 O-C-N 120.763 -1.21 . . . . 0.0 111.871 -175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.1 mtp -89.63 154.92 19.59 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.05 135.73 33.29 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.693 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.1 tttt -38.71 -45.74 1.15 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.717 -0.615 . . . . 0.0 111.197 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.9 OUTLIER -53.28 -40.76 64.94 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.735 -0.603 . . . . 0.0 110.242 -179.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.22 -54.81 23.82 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.3 mt -53.19 -48.52 67.99 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 122.698 1.237 . . . . 0.0 107.955 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.777 HD13 ' HG3' ' A' ' 28' ' ' GLN . 60.5 mt -56.73 -53.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.446 0 O-C-N 121.229 -0.919 . . . . 0.0 108.914 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -47.56 72.59 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 110.023 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.55 -30.17 67.92 Favored 'General case' 0 C--O 1.201 -1.476 0 C-N-CA 118.1 -1.44 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 27' ' ' LEU . 7.5 m-85 -53.79 -43.61 69.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.801 -1.187 . . . . 0.0 109.649 174.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.45 -49.28 74.27 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.817 -1.153 . . . . 0.0 108.323 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.45 -62.09 2.14 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.59 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.638 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.17 -59.44 3.66 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.823 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.71 -48.64 74.81 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.555 -0.716 . . . . 0.0 109.317 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -59.55 -40.09 86.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.959 -1.088 . . . . 0.0 109.093 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.88 -58.87 6.67 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.74 -33.78 61.61 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.5 m -63.04 -57.26 11.27 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.314 -0.866 . . . . 0.0 109.127 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' B' ' 48' ' ' ARG . 0.4 OUTLIER -53.85 -46.03 71.13 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.806 -1.184 . . . . 0.0 107.911 176.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.451 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 31.4 mmm -64.97 -19.73 66.12 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.695 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.29 -46.07 21.13 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.82 -53.68 54.41 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.63 -51.93 66.81 Favored 'General case' 0 C--O 1.189 -2.103 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.602 ' ND2' HD21 ' A' ' 53' ' ' ASN . 9.8 m-80 -50.68 -47.75 58.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 109.82 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -52.95 -56.3 16.97 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.54 -66.08 0.59 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 56' ' ' LEU . 22.4 mt -37.24 -55.61 0.99 Allowed 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 123.604 0.761 . . . . 0.0 111.371 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' B' ' 57' ' ' ARG . 0.2 OUTLIER -56.7 -43.05 80.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.16 -43.95 63.81 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.025 -1.047 . . . . 0.0 109.382 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.76 -51.62 26.02 Favored 'General case' 0 C--N 1.269 -2.926 0 O-C-N 121.171 -0.956 . . . . 0.0 110.68 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.2 p -51.48 -48.01 62.99 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.398 -0.814 . . . . 0.0 111.147 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -30.77 68.85 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.493 -1.379 . . . . 0.0 108.279 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 64' ' ' GLY . 22.9 tpp180 -77.49 26.14 0.17 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 109.522 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 63' ' ' LEU . 7.8 mt -74.97 66.0 1.51 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 170.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -175.03 64.09 0.1 Allowed Glycine 0 C--N 1.286 -2.209 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -176.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.3 -42.82 0.68 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 69' ' ' ARG . 0.7 OUTLIER -76.39 -17.4 59.38 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.092 -1.24 . . . . 0.0 109.148 -178.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 -27.68 5.35 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.838 -0.539 . . . . 0.0 110.356 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -41.44 61.04 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.592 ' HB2' ' CZ ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -58.72 -48.29 81.64 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 174.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 73' ' ' LEU . 62.1 t -51.39 -54.74 10.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 177.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -42.42 74.61 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.365 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.95 -37.54 82.74 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.583 ' CD1' HG13 ' A' ' 70' ' ' VAL . 51.1 mt -72.81 -38.12 67.29 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.03 -38.9 84.09 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.18 -47.28 71.41 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.62 -45.91 84.78 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.302 -0.874 . . . . 0.0 108.943 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 80' ' ' LEU . 20.8 mt -56.43 -52.49 64.47 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.455 ' OD1' ' NH1' ' B' ' 81' ' ' ARG . 8.6 m-20 -57.86 -36.46 72.38 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.51 HH11 ' CD ' ' B' ' 83' ' ' GLU . 3.0 tmt_? -60.78 -49.63 76.71 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 176.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.546 HD22 ' ND2' ' A' ' 84' ' ' ASN . 12.1 mt -60.65 -39.62 88.99 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.455 ' NH1' ' OD1' ' B' ' 78' ' ' ASP . 64.8 mtp180 -61.77 -36.47 81.14 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -58.64 -48.59 80.51 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.51 ' CD ' HH11 ' B' ' 79' ' ' ARG . 2.8 mt-10 -62.96 -52.63 62.28 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.657 ' ND2' HD22 ' A' ' 80' ' ' LEU . 24.6 m-80 -49.17 -48.69 44.81 Favored 'General case' 0 C--O 1.199 -1.599 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' B' ' 89' ' ' THR . 1.4 tp -57.24 -55.88 28.97 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.477 HE21 ' C ' ' B' ' 82' ' ' ALA . 20.9 mt-30 -54.61 -40.09 68.54 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.276 0.56 . . . . 0.0 110.002 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.527 HD22 ' HG ' ' A' ' 88' ' ' LEU . 14.7 mt -76.29 -50.75 13.54 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.968 -1.083 . . . . 0.0 110.163 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.26 -46.99 88.08 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.5 OUTLIER -54.7 -43.44 72.53 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.085 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.26 -43.77 77.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -0.84 . . . . 0.0 109.339 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -55.19 -49.45 71.88 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' B' ' 95' ' ' ARG . 0.5 OUTLIER -56.77 -46.06 81.7 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.718 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' B' ' 97' ' ' GLN . 57.6 mt -53.92 -28.04 34.38 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 120.848 -1.157 . . . . 0.0 109.889 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.85 -52.51 6.31 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' B' ' 92' ' ' GLU . 24.4 mtm105 -66.36 -33.34 75.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.75 -176.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -21.43 29.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.995 -176.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' B' ' 98' ' ' GLU . 1.1 mp0 -106.66 -161.78 0.81 Allowed 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER 19.5 -84.04 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 123.8 0.84 . . . . 0.0 112.822 176.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.454 ' NE ' ' OE2' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.47 44.88 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.293 -0.88 . . . . 0.0 109.841 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.732 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -133.73 -68.41 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 108.483 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.732 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 5.8 Cg_exo -36.85 99.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 123.367 2.711 . . . . 0.0 112.708 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' B' ' 102' ' ' LEU . 0.7 OUTLIER -62.3 -14.72 42.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.922 -1.111 . . . . 0.0 109.777 -178.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.7 OUTLIER -76.96 2.16 15.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.043 -1.036 . . . . 0.0 110.628 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -69.75 66.96 0.24 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.731 -1.231 . . . . 0.0 108.389 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' B' ' 103' ' ' SER . 79.1 m-85 -72.29 -34.38 68.13 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.265 -0.897 . . . . 0.0 109.36 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.47 -62.19 2.72 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.506 2.346 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.989 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 1 N-CA-C 102.545 -4.222 . . . . 0.0 102.545 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -66.02 92.5 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.351 -1.088 . . . . 0.0 108.843 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.0 mtp -67.84 50.48 0.06 Allowed 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -149.32 144.64 26.58 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.16 -160.22 20.39 Favored Glycine 0 C--N 1.287 -2.192 0 N-CA-C 108.496 -1.842 . . . . 0.0 108.496 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.65 -170.56 3.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 54.22 32.13 50.51 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 177.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.08 57.5 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.494 -1.003 . . . . 0.0 110.085 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' GLY . 48.8 mt-10 -56.51 125.31 21.54 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.994 -1.066 . . . . 0.0 108.39 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -76.21 128.6 35.27 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -103.3 123.76 47.39 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 14.6 mt-30 -68.94 -170.8 0.25 Allowed 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 11' ' ' LEU . 52.3 mmt-85 -149.14 27.16 0.86 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -76.72 -7.82 56.08 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -46.17 -34.34 4.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.623 -0.673 . . . . 0.0 109.874 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m 56.22 -161.42 0.19 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.21 173.56 8.72 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.026 -1.046 . . . . 0.0 108.572 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -75.02 169.49 17.89 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -159.89 -168.34 2.21 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 177.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' C ' ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -72.19 58.24 0.37 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' CA ' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -103.07 102.02 12.02 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 120.769 -1.207 . . . . 0.0 107.784 -177.04 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' C ' ' H ' ' A' ' 24' ' ' THR . 60.3 m-85 -86.62 -95.66 0.08 Allowed 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.364 -174.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -69.56 38.11 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.716 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -63.22 -46.91 84.78 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 121.292 -0.88 . . . . 0.0 108.863 -179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.5 mm-40 -34.25 -62.31 0.33 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -37.43 4.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.675 -0.641 . . . . 0.0 110.031 -176.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' B' ' 39' ' ' TYR . 27.4 mt -69.38 -46.58 66.57 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.701 -1.249 . . . . 0.0 109.242 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.716 HE22 HG22 ' A' ' 24' ' ' THR . 1.2 mp0 -63.99 -36.09 82.85 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.802 -1.186 . . . . 0.0 108.917 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.05 -11.26 18.17 Favored 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.732 -0.605 . . . . 0.0 111.494 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 mtm -101.11 159.57 15.12 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 109.984 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.428 ' HB3' ' HG3' ' A' ' 34' ' ' GLU . 7.3 t -87.94 148.57 24.52 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.752 ' HA ' HD12 ' A' ' 35' ' ' LEU . 2.6 ttpt -47.54 -44.25 25.75 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.488 -0.758 . . . . 0.0 111.562 -173.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.43 -32.02 73.42 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 118.861 -1.136 . . . . 0.0 110.893 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' SER . 3.9 mt-10 -63.8 -48.76 75.58 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.3 mt -60.32 -56.76 17.54 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 122.685 1.231 . . . . 0.0 108.325 177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.635 HD13 ' HG3' ' B' ' 28' ' ' GLN . 94.0 mt -46.54 -49.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 O-C-N 121.575 -0.703 . . . . 0.0 109.323 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -57.77 -51.13 70.85 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.056 -1.028 . . . . 0.0 109.988 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -65.58 -30.36 71.09 Favored 'General case' 0 C--O 1.191 -2.005 0 C-N-CA 118.01 -1.476 . . . . 0.0 109.854 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.0 m-85 -52.34 -44.92 65.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.693 -1.255 . . . . 0.0 109.702 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD12 ' HD3' ' B' ' 21' ' ' ARG . 15.4 mt -64.79 -29.09 70.05 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.987 -1.085 . . . . 0.0 108.662 -178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.95 -66.33 0.83 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.27 -57.46 4.56 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 123.696 0.799 . . . . 0.0 109.349 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.29 -46.59 76.22 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -61.91 -27.06 68.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.812 -1.18 . . . . 0.0 109.708 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.1 m -74.37 -58.12 3.5 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.9 tp -58.06 -35.09 70.86 Favored 'General case' 0 C--O 1.183 -2.407 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.67 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -59.49 -56.36 22.9 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -56.68 -49.59 74.65 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.244 -0.91 . . . . 0.0 108.668 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.4 mmm -63.37 -22.52 66.93 Favored 'General case' 0 C--O 1.179 -2.63 0 O-C-N 121.895 -0.503 . . . . 0.0 110.046 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.29 -47.87 46.66 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 120.513 -1.367 . . . . 0.0 107.992 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.7 m-20 -54.88 -53.04 60.62 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.633 176.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.5 -48.99 70.65 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.065 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' MET . 2.7 m-80 -51.79 -43.34 63.01 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -59.14 -53.97 52.3 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.492 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 51' ' ' ASP . 9.0 mpt_? -64.18 -62.02 1.89 Allowed 'General case' 0 C--O 1.186 -2.244 0 C-N-CA 119.24 -0.984 . . . . 0.0 108.926 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 56' ' ' LEU . 12.4 mt -34.56 -53.56 0.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.901 -177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -62.15 -48.15 81.39 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.59 0.709 . . . . 0.0 109.655 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 50.7 mt -63.76 -40.53 96.92 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.233 -0.917 . . . . 0.0 109.022 -178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.74 -64.06 0.93 Allowed 'General case' 0 C--N 1.264 -3.143 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 p -39.25 -56.27 1.54 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 122.0 -0.437 . . . . 0.0 111.171 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 2.2 pttm -55.13 -23.54 21.6 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 121.391 -0.818 . . . . 0.0 109.457 -176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -99.97 14.28 31.08 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 62.6 mt -121.87 135.01 54.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -123.08 134.13 9.36 Favored Glycine 0 C--N 1.29 -1.999 0 N-CA-C 108.333 -1.907 . . . . 0.0 108.333 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.619 ' N ' HD23 ' B' ' 63' ' ' LEU . . . -76.61 43.19 1.84 Allowed Glycine 0 N--CA 1.5 2.926 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.629 ' HB3' HG21 ' B' ' 70' ' ' VAL . 4.1 m-20 -101.71 0.7 36.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.518 -0.99 . . . . 0.0 109.625 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.87 -38.9 17.21 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.589 -1.32 . . . . 0.0 110.634 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.38 -27.23 60.56 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.056 . . . . 0.0 108.2 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.551 HH22 ' CD ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -67.79 -44.96 76.15 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG22 HG22 ' B' ' 70' ' ' VAL . 26.8 t -54.15 -59.28 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.6 mtm105 -57.22 -41.91 80.35 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.944 -176.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.74 -38.99 87.03 Favored 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.603 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' B' ' 70' ' ' VAL . 72.9 mt -67.44 -44.56 78.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.682 -0.636 . . . . 0.0 109.789 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' CD ' HH12 ' B' ' 69' ' ' ARG . 0.8 OUTLIER -60.13 -47.1 87.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 107.99 177.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 71' ' ' ARG . 3.1 mt -57.45 -41.94 81.53 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.28 -0.888 . . . . 0.0 108.671 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD23 HD12 ' B' ' 80' ' ' LEU . 26.0 mt -60.34 -40.54 91.03 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -60.22 -43.14 96.26 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.364 -0.835 . . . . 0.0 108.841 176.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.516 HD12 HD23 ' B' ' 77' ' ' LEU . 11.3 mt -57.97 -42.7 85.57 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.4 -0.813 . . . . 0.0 109.183 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.461 HH22 ' CG ' ' A' ' 78' ' ' ASP . 5.3 mtm-85 -63.27 -37.15 86.12 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -59.77 -49.48 77.55 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -55.29 36.31 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.5 HD21 ' ND2' ' B' ' 84' ' ' ASN . 30.4 m-80 -47.7 -48.66 29.32 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -55.77 -55.24 34.75 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.488 HE21 ' C ' ' A' ' 82' ' ' ALA . 31.0 mt-30 -54.74 -51.58 65.22 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' B' ' 88' ' ' LEU . 29.7 mt -59.93 -49.48 77.52 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -64.28 -43.62 94.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -62.9 -38.83 92.5 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.205 -0.934 . . . . 0.0 108.816 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.1 mt-10 -68.49 -37.84 80.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.566 -1.334 . . . . 0.0 108.123 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.566 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 22.3 t-20 -60.96 -46.4 90.88 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 89' ' ' THR . 37.4 mt-10 -51.79 -50.38 60.86 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 90' ' ' GLU . 13.3 mt -54.16 -23.7 15.27 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.299 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' B' ' 94' ' ' HIS . 8.2 t60 -85.24 -56.53 3.49 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.856 -1.153 . . . . 0.0 108.318 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.566 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 0.3 OUTLIER -66.12 -36.24 82.63 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 111.807 -176.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -77.67 -27.52 50.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.389 -175.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -71.41 61.5 0.33 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.404 1.097 . . . . 0.0 108.125 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLN . 9.5 mt-10 -75.12 -40.8 59.56 Favored 'General case' 0 C--N 1.266 -3.031 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 103' ' ' SER . 0.2 OUTLIER -80.44 34.87 0.33 Allowed 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.025 -1.047 . . . . 0.0 109.392 178.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.638 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -105.16 -64.07 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.638 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.1 Cg_exo -35.52 116.92 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 C-N-CA 123.045 2.497 . . . . 0.0 112.162 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' B' ' 105' ' ' PHE . 0.3 OUTLIER 50.38 11.95 0.08 Allowed 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.952 -0.468 . . . . 0.0 110.584 -179.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 1.9 m -125.67 -113.91 0.29 Allowed 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.09 60.49 1.44 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.089 -1.632 . . . . 0.0 108.256 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' B' ' 102' ' ' LEU . 55.0 p90 -96.69 163.39 13.03 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.27 30.37 0.09 OUTLIER Glycine 0 N--CA 1.499 2.878 0 N-CA-C 106.537 -2.625 . . . . 0.0 106.537 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.188 -2.164 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.838 -175.099 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 1 N-CA-C 102.087 -4.405 . . . . 0.0 102.087 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.45 94.45 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -1.189 . . . . 0.0 108.48 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.07 53.59 0.13 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.818 -1.176 . . . . 0.0 109.312 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -150.84 148.65 28.74 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.86 -171.45 16.36 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.418 -1.873 . . . . 0.0 108.418 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -140.36 -162.73 1.4 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.965 -1.315 . . . . 0.0 108.982 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.81 33.33 27.58 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.77 56.35 0.09 Allowed 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.899 -178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.99 136.54 47.58 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -83.13 137.95 33.87 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.499 ' O ' ' NH1' ' B' ' 13' ' ' ARG . 5.4 mp -112.23 121.92 46.27 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -67.0 -169.48 0.09 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' B' ' 11' ' ' LEU . 48.9 mmt-85 -149.29 30.5 0.77 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -80.07 -8.74 59.54 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -43.88 -34.62 1.68 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 57.17 -166.76 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.82 170.38 11.24 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.259 -0.901 . . . . 0.0 108.8 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.5 t -74.57 159.39 32.23 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' B' ' 21' ' ' ARG . 1.7 m-85 -150.88 -166.99 2.69 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' B' ' 21' ' ' ARG . 0.7 OUTLIER -72.27 58.65 0.39 Allowed 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 176.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.564 ' CA ' ' HE ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -105.81 102.8 12.22 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' B' ' 24' ' ' THR . 34.4 m-85 -88.6 -92.69 0.11 Allowed 'General case' 0 C--N 1.291 -1.966 0 O-C-N 121.852 -0.53 . . . . 0.0 110.525 -174.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 23' ' ' HIS . 22.8 p80 -71.01 37.24 0.05 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.05 -1.031 . . . . 0.0 109.812 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.64 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -62.32 -47.52 83.9 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.1 mm-40 -34.32 -62.73 0.32 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -35.46 4.17 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.232 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.525 ' HB3' HG12 ' A' ' 36' ' ' ILE . 35.1 mt -70.15 -46.26 65.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.857 -1.152 . . . . 0.0 108.921 176.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.64 HE22 HG22 ' B' ' 24' ' ' THR . 1.7 mp0 -62.53 -37.12 84.84 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 120.732 -1.23 . . . . 0.0 108.539 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.9 -11.8 14.8 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 121.661 -0.65 . . . . 0.0 111.158 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.49 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.1 mtm -100.72 156.8 17.13 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 121.132 -0.98 . . . . 0.0 110.458 -175.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 144.0 26.77 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' B' ' 35' ' ' LEU . 1.7 ttpt -42.87 -45.16 4.83 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.733 -0.604 . . . . 0.0 111.338 -173.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.17 -31.75 73.09 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.613 -1.235 . . . . 0.0 110.883 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -63.86 -47.77 79.38 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -62.08 -57.74 10.45 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.609 1.195 . . . . 0.0 108.561 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' HG3' ' A' ' 28' ' ' GLN . 83.4 mt -44.88 -49.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.084 0 O-C-N 121.521 -0.737 . . . . 0.0 109.551 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -50.99 71.35 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.888 -1.132 . . . . 0.0 110.552 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.19 -31.6 72.53 Favored 'General case' 0 C--O 1.195 -1.786 0 C-N-CA 118.531 -1.267 . . . . 0.0 109.647 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.523 ' CD2' HD22 ' A' ' 27' ' ' LEU . 6.5 m-85 -50.65 -46.77 58.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.887 -1.133 . . . . 0.0 110.127 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 ' HD3' ' A' ' 21' ' ' ARG . 15.7 mt -61.7 -40.06 93.68 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.872 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.04 -62.47 1.37 Allowed 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 119.163 -1.015 . . . . 0.0 108.808 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -46.24 -57.49 4.51 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.356 0.598 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -56.32 -47.54 78.53 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -59.59 -25.05 64.29 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 120.72 -1.238 . . . . 0.0 109.615 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.5 m -75.27 -58.68 3.13 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 120.765 -1.209 . . . . 0.0 107.744 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' B' ' 46' ' ' LEU . 17.4 tp -57.61 -34.54 69.39 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.552 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -61.2 -50.72 71.97 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.105 -0.997 . . . . 0.0 108.631 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -61.63 -51.49 68.29 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.541 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 7.5 mmm -61.08 -23.83 65.77 Favored 'General case' 0 C--O 1.172 -3.014 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.6 -49.12 43.28 Favored 'General case' 0 C--N 1.281 -2.411 0 O-C-N 120.466 -1.396 . . . . 0.0 107.9 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' B' ' 55' ' ' ARG . 2.7 m-20 -54.78 -55.46 29.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.288 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.45 -46.21 87.3 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.032 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.598 HD21 ' ND2' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.17 -43.1 78.04 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -175.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -56.51 -53.55 56.24 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 51' ' ' ASP . 8.5 mpt_? -64.08 -62.98 1.28 Allowed 'General case' 0 C--O 1.188 -2.175 0 O-C-N 121.268 -0.895 . . . . 0.0 109.284 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.5 mt -34.56 -53.64 0.53 Allowed 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.009 0.433 . . . . 0.0 110.756 -177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.16 -45.69 92.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.224 0.535 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' B' ' 61' ' ' LYS . 40.7 mt -67.32 -43.3 81.97 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 121.209 -0.932 . . . . 0.0 108.951 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -65.29 -60.04 3.41 Favored 'General case' 0 C--N 1.271 -2.836 0 CA-C-O 121.171 0.51 . . . . 0.0 109.849 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.8 p -43.75 -58.7 2.57 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.274 0.559 . . . . 0.0 110.965 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 58' ' ' LEU . 1.1 pttm -52.07 -26.4 10.95 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -96.77 13.75 27.46 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.421 -0.799 . . . . 0.0 109.332 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 45.5 mt -123.02 138.93 54.56 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.03 135.26 8.74 Favored Glycine 0 N--CA 1.498 2.81 0 N-CA-C 107.507 -2.237 . . . . 0.0 107.507 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.54 ' N ' HD23 ' A' ' 63' ' ' LEU . . . -73.81 46.88 1.47 Allowed Glycine 0 N--CA 1.507 3.409 0 O-C-N 120.499 -1.589 . . . . 0.0 109.541 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.583 ' HB3' HG21 ' A' ' 70' ' ' VAL . 6.0 m-20 -105.36 0.93 27.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.79 -0.829 . . . . 0.0 111.424 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.88 -37.12 18.71 Favored 'General case' 0 N--CA 1.521 3.122 0 O-C-N 120.301 -1.5 . . . . 0.0 110.75 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.11 -29.12 60.48 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.438 HH12 ' CD ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -66.77 -46.48 75.2 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 175.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 66' ' ' ASP . 30.6 t -53.55 -57.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.693 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.6 mtm180 -59.13 -42.41 90.56 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 119.688 -0.805 . . . . 0.0 110.097 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.03 -40.66 90.09 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 118.694 -1.202 . . . . 0.0 108.388 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 70' ' ' VAL . 74.8 mt -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.791 -0.568 . . . . 0.0 110.254 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.551 ' CD ' HH22 ' A' ' 69' ' ' ARG . 1.1 mt-10 -61.42 -45.39 94.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.681 -1.262 . . . . 0.0 107.862 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.693 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.1 mt -59.37 -40.06 85.29 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.87 -43.96 91.26 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 80' ' ' LEU . 24.3 mt -59.63 -42.19 92.16 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -45.14 82.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.498 -0.751 . . . . 0.0 109.86 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -58.24 -54.61 45.03 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.526 HD12 HD23 ' A' ' 77' ' ' LEU . 12.5 mt -57.29 -41.18 79.27 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.433 -0.792 . . . . 0.0 109.493 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 81' ' ' ARG . 4.1 mtm-85 -65.38 -37.61 87.54 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.508 ' C ' HE21 ' B' ' 86' ' ' GLN . . . -59.6 -47.72 84.48 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.461 ' HA ' ' NE2' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -60.69 -54.64 42.89 Favored 'General case' 0 C--O 1.202 -1.416 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.5 ' ND2' HD21 ' A' ' 84' ' ' ASN . 17.4 m-80 -47.57 -47.76 28.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.68 -0.638 . . . . 0.0 109.421 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.8 OUTLIER -57.38 -55.32 36.3 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.508 HE21 ' C ' ' B' ' 82' ' ' ALA . 30.7 mt-30 -54.56 -50.82 67.06 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 88' ' ' LEU . 49.8 mt -59.98 -49.66 76.81 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 121.547 -0.721 . . . . 0.0 110.516 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.04 -44.98 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' B' ' 92' ' ' GLU . 0.5 OUTLIER -61.2 -38.74 87.66 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.318 -0.864 . . . . 0.0 108.945 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.738 ' HA ' HD12 ' B' ' 93' ' ' LEU . 0.9 OUTLIER -69.33 -39.31 78.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.882 -1.136 . . . . 0.0 108.293 176.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.588 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 26.5 t-20 -60.81 -46.21 91.4 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 89' ' ' THR . 32.2 mt-10 -52.02 -50.76 60.78 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' B' ' 90' ' ' GLU . 9.4 mt -53.33 -23.05 8.32 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.139 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.482 ' ND1' ' ND1' ' A' ' 94' ' ' HIS . 13.4 t60 -85.49 -57.98 2.85 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 0.8 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.836 -0.54 . . . . 0.0 111.776 -176.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -77.71 -31.81 52.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.636 -0.665 . . . . 0.0 109.502 -174.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -68.61 63.75 0.11 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 96' ' ' GLN . 40.0 mt-10 -78.36 -35.34 47.52 Favored 'General case' 0 C--N 1.264 -3.13 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.8 31.46 0.36 Allowed 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.478 -0.764 . . . . 0.0 109.536 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.655 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -103.16 -64.84 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.59 -0.694 . . . . 0.0 109.511 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.655 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 3.5 Cg_exo -35.58 113.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.484 0.946 0 C-N-CA 123.118 2.546 . . . . 0.0 112.233 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.43 HD11 ' CD2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER 52.5 14.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.58 -0.7 . . . . 0.0 110.624 -179.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER -126.29 -106.89 0.32 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 177.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.434 ' H ' ' HB2' ' B' ' 103' ' ' SER . 0.5 OUTLIER -82.81 56.84 3.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.626 177.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 102' ' ' LEU . 49.0 p90 -90.4 159.76 16.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.086 -1.009 . . . . 0.0 109.075 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.8 32.8 0.23 Allowed Glycine 0 N--CA 1.498 2.789 0 N-CA-C 107.338 -2.305 . . . . 0.0 107.338 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.757 -175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.88 ' HA2' ' HB3' ' A' ' 6' ' ' ASP . . . . . . . . 0 CA--C 1.529 0.907 1 N-CA-C 102.873 -4.091 . . . . 0.0 102.873 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -68.66 86.93 0.32 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.591 -1.535 . . . . 0.0 108.24 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 mmm 66.42 -54.05 0.41 Allowed 'General case' 0 N--CA 1.512 2.63 0 O-C-N 121.523 -0.736 . . . . 0.0 109.065 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -76.23 168.75 19.49 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 175.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.17 -43.52 99.0 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 108.744 -1.742 . . . . 0.0 108.744 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.88 ' HB3' ' HA2' ' A' ' 1' ' ' GLY . 29.3 t70 54.81 90.63 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.567 0 O-C-N 122.155 -0.615 . . . . 0.0 110.306 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 172.03 -39.65 0.17 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -65.07 56.21 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.679 -0.895 . . . . 0.0 111.153 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -69.78 69.72 0.31 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 176.202 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' SER . 37.0 p90 -67.54 136.07 53.97 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 121.371 -0.831 . . . . 0.0 109.7 -176.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.726 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.1 157.15 45.69 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -126.32 -17.99 5.03 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.078 -1.013 . . . . 0.0 109.036 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 44.12 62.73 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 27.1 t0 -62.94 162.19 11.7 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.687 -1.258 . . . . 0.0 108.981 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -76.71 68.89 3.02 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HG ' HH12 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -53.13 -54.29 37.93 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -177.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 47.83 -156.7 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.999 0.904 . . . . 0.0 111.8 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 m -167.42 132.33 1.95 Allowed 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -147.16 146.27 29.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.217 -0.927 . . . . 0.0 108.824 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -125.07 72.14 1.22 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 24' ' ' THR . 4.6 mmp_? -115.58 105.78 13.17 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.392 -0.817 . . . . 0.0 108.868 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 24' ' ' THR . 91.5 m-85 -97.22 162.0 13.55 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 69.65 -57.38 0.55 Allowed 'General case' 0 N--CA 1.515 2.792 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.946 HG22 HE22 ' A' ' 28' ' ' GLN . 1.6 m -45.52 -28.46 0.93 Allowed 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.831 171.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.8 mt-10 -33.6 -58.99 0.41 Allowed 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.18 -42.28 6.32 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.71 -0.619 . . . . 0.0 110.485 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HB2' ' NE2' ' A' ' 28' ' ' GLN . 34.0 mt -64.67 -45.81 85.14 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.946 -1.096 . . . . 0.0 108.98 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.946 HE22 HG22 ' A' ' 24' ' ' THR . 1.5 mp0 -66.49 -33.38 75.56 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.834 -1.166 . . . . 0.0 108.452 176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' GLU . 2.6 m-80 -75.81 -2.88 32.04 Favored 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.911 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.492 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 1.4 mmm -94.74 157.74 15.81 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 121.235 -0.915 . . . . 0.0 109.285 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -88.76 143.96 26.56 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 3.4 ttpt -51.0 -41.64 59.9 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 110.8 -175.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -55.89 -36.41 67.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.926 -1.109 . . . . 0.0 109.528 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.4 mt-10 -66.3 -70.33 0.25 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.48 -38.62 1.98 Allowed 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.494 0.664 . . . . 0.0 109.54 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 ' HG3' ' B' ' 28' ' ' GLN . 81.1 mt -71.95 -53.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -53.75 -48.09 70.04 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.486 -0.759 . . . . 0.0 109.523 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.531 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 5.7 pt-20 -63.69 -29.23 70.48 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 118.26 -1.376 . . . . 0.0 110.327 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.7 m-85 -60.5 -41.4 94.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.613 -1.304 . . . . 0.0 111.038 173.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.09 -38.67 83.6 Favored 'General case' 0 C--N 1.279 -2.474 0 C-N-CA 118.874 -1.13 . . . . 0.0 108.099 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.15 -60.48 2.31 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.95 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.24 -53.07 11.31 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.34 -52.15 65.64 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm -55.39 -40.32 71.25 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.9 m -60.33 -61.62 2.47 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD11 ' SD ' ' B' ' 49' ' ' MET . 17.1 tp -57.89 -35.51 71.1 Favored 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 119.464 -0.895 . . . . 0.0 109.758 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.5 m -62.48 -50.58 70.85 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.234 -0.916 . . . . 0.0 108.978 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm-85 -63.14 -46.67 86.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.737 ' SD ' HD11 ' B' ' 46' ' ' LEU . 84.9 mtp -68.6 -12.41 61.28 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.7 -0.625 . . . . 0.0 110.557 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -44.99 29.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.601 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.9 m-20 -55.67 -48.16 75.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 56' ' ' LEU . 6.0 mm-40 -64.91 -56.26 14.38 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.564 HD21 ' ND2' ' B' ' 53' ' ' ASN . 10.8 m-80 -46.94 -45.82 20.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.586 0.708 . . . . 0.0 109.139 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -58.82 -61.41 2.64 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.884 0.85 . . . . 0.0 108.847 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.601 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -63.8 -64.42 0.9 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' B' ' 57' ' ' ARG . 13.6 mt -34.36 -55.31 0.52 Allowed 'General case' 0 C--N 1.295 -1.801 0 C-N-CA 122.749 0.42 . . . . 0.0 111.702 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HG3' HD21 ' B' ' 56' ' ' LEU . 0.7 OUTLIER -62.28 -46.81 87.09 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.718 -178.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.71 -54.69 35.41 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.04 -1.037 . . . . 0.0 108.616 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.37 -54.54 25.48 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -55.28 -53.35 57.27 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -60.13 -35.08 74.46 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -90.54 20.04 4.88 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.387 -0.821 . . . . 0.0 110.164 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB3' HD22 ' B' ' 63' ' ' LEU . 5.9 mt -111.49 122.36 47.64 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.35 144.37 15.96 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 120.944 -1.098 . . . . 0.0 110.999 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.69 57.56 4.92 Favored Glycine 0 N--CA 1.484 1.853 0 N-CA-C 107.242 -2.343 . . . . 0.0 107.242 175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -68.15 -7.58 31.21 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.454 -1.027 . . . . 0.0 109.152 -178.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -45.91 -33.56 3.33 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.859 -0.525 . . . . 0.0 110.131 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.52 -37.75 59.86 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.61 ' NH2' HD21 ' A' ' 73' ' ' LEU . 28.8 tpt180 -65.27 -41.27 94.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG13 ' HG3' ' B' ' 69' ' ' ARG . 43.9 t -53.88 -56.11 10.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -59.19 -39.25 82.0 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.621 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 75' ' ' LEU . 12.0 mt-10 -54.41 -47.58 72.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.61 HD21 ' NH2' ' A' ' 69' ' ' ARG . 32.9 mt -68.49 -38.77 81.28 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.465 -176.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.13 -39.46 94.76 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.7 mt -64.48 -45.18 88.45 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.54 -42.56 92.62 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD12 ' B' ' 80' ' ' LEU . 28.1 mt -60.28 -44.19 95.57 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.5 OUTLIER -57.03 -40.85 77.5 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 175.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -61.18 -48.32 82.09 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 13.6 mt -68.36 -38.01 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.208 -0.933 . . . . 0.0 109.174 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' A' ' 78' ' ' ASP . 12.4 mtm-85 -61.22 -33.97 74.35 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.71 80.57 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.04 -49.65 71.54 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -49.96 -49.47 50.1 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -52.07 67.02 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.481 HE21 ' C ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -57.99 -50.46 73.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.204 -0.935 . . . . 0.0 109.502 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 11.6 mt -66.49 -49.72 65.66 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 121.867 -0.521 . . . . 0.0 109.741 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.68 76.53 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.5 92.63 Favored 'General case' 0 C--N 1.297 -1.692 0 C-N-CA 118.574 -1.25 . . . . 0.0 109.067 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 93' ' ' LEU . 6.6 mt-10 -61.78 -47.78 83.59 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.716 -1.24 . . . . 0.0 109.293 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 26.8 t-20 -54.66 -48.08 72.76 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.432 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 1.2 mm-40 -59.08 -44.08 91.85 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.615 -0.678 . . . . 0.0 109.664 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 90' ' ' GLU . 9.0 mt -59.31 -49.71 76.79 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.767 -1.208 . . . . 0.0 109.264 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.421 ' O ' ' NH2' ' A' ' 99' ' ' ARG . 1.0 OUTLIER -72.81 -24.39 60.9 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.338 -0.851 . . . . 0.0 110.19 -177.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.1 mtt85 -82.89 -51.32 7.73 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 121.051 -1.03 . . . . 0.0 108.517 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 98' ' ' GLU . 24.6 mt-30 -63.15 -63.07 1.3 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 4.7 mp0 -78.34 44.8 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.515 ' O ' ' NE ' ' A' ' 99' ' ' ARG . 3.3 tp10 9.26 -98.96 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.609 1.164 . . . . 0.0 111.914 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' NH1' ' OG ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -113.73 39.48 2.66 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.376 -1.452 . . . . 0.0 108.86 -178.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -76.19 -66.37 0.38 Allowed Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.634 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 2.8 Cg_exo -32.48 88.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.977 3.118 . . . . 0.0 113.297 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.5 mt 40.74 31.77 0.13 Allowed 'General case' 0 N--CA 1.512 2.625 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.612 ' OG ' ' NH1' ' B' ' 99' ' ' ARG . 60.5 m -117.66 25.56 10.31 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.063 -1.023 . . . . 0.0 111.39 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 106' ' ' GLY . 1.8 pttm -69.06 63.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.0 OUTLIER 67.57 -61.71 0.35 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -175.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 65.4 -74.95 0.09 OUTLIER Glycine 0 N--CA 1.495 2.601 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 175.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.185 -2.331 0 O-C-N 121.541 -0.976 . . . . 0.0 108.444 -179.112 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.658 ' HA2' ' HB3' ' B' ' 6' ' ' ASP . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 103.277 -3.929 . . . . 0.0 103.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -61.74 91.07 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.362 -1.081 . . . . 0.0 109.035 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 66.9 mmm 64.25 -57.45 0.23 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -74.98 166.81 23.08 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.73 -44.16 97.2 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.658 ' HB3' ' HA2' ' B' ' 1' ' ' GLY . 14.4 t0 54.55 79.65 0.14 Allowed 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.849 0.833 . . . . 0.0 109.695 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -174.7 -37.25 0.04 OUTLIER Glycine 0 C--N 1.279 -2.624 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.1 OUTLIER -66.08 54.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -1.141 . . . . 0.0 111.57 -178.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' B' ' 7' ' ' GLY . 1.2 mp0 -69.85 66.35 0.24 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 175.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 8' ' ' SER . 26.2 p90 -67.78 132.36 47.28 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 121.121 -0.987 . . . . 0.0 110.538 -174.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.744 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -138.74 151.14 46.86 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -118.79 -24.27 6.71 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.381 -0.824 . . . . 0.0 109.149 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.509 HH12 ' HG ' ' B' ' 16' ' ' SER . 0.0 OUTLIER 49.72 68.05 0.8 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.803 0.811 . . . . 0.0 110.4 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.07 161.91 17.92 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.263 -0.898 . . . . 0.0 109.059 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -79.41 71.63 5.99 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.509 ' HG ' HH12 ' B' ' 13' ' ' ARG . 1.1 m -54.64 -58.8 6.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.866 -0.521 . . . . 0.0 109.99 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 44.4 -159.29 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 121.536 0.684 . . . . 0.0 111.384 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.2 m -165.33 123.59 1.63 Allowed 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -136.61 150.62 48.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.49 -0.756 . . . . 0.0 109.094 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.46 71.21 1.33 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.422 ' HB3' HG21 ' B' ' 24' ' ' THR . 2.6 mmp_? -113.2 105.48 13.49 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.223 -0.923 . . . . 0.0 109.135 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.582 ' O ' ' N ' ' B' ' 24' ' ' THR . 90.0 m-85 -94.22 161.25 14.34 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.059 -1.025 . . . . 0.0 108.404 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 67.93 -56.21 0.48 Allowed 'General case' 0 N--CA 1.519 2.975 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -173.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.964 HG22 HE22 ' B' ' 28' ' ' GLN . 2.0 m -44.14 -30.56 0.78 Allowed 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.733 171.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ASN . 15.9 mt-10 -33.85 -56.43 0.46 Allowed 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.58 -42.76 7.6 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.646 -0.659 . . . . 0.0 109.703 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.47 ' HB3' HG12 ' A' ' 36' ' ' ILE . 36.6 mt -65.04 -45.86 83.67 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.136 -0.978 . . . . 0.0 109.041 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.964 HE22 HG22 ' B' ' 24' ' ' THR . 1.5 mp0 -66.34 -33.61 76.12 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.741 -1.224 . . . . 0.0 109.124 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' GLU . 2.8 m-80 -75.58 -3.21 33.0 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.902 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.478 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -95.7 156.92 16.12 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 121.437 -0.789 . . . . 0.0 109.486 -178.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.51 147.25 24.73 Favored 'General case' 0 C--N 1.273 -2.734 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 2.9 ttpt -53.91 -41.28 67.49 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.144 -0.973 . . . . 0.0 110.843 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' B' ' 34' ' ' GLU . 4.2 pm0 -55.81 -38.08 69.51 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.981 -1.074 . . . . 0.0 109.492 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 4.7 mt-10 -65.82 -69.14 0.32 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mt -43.53 -38.83 3.1 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 121.406 0.622 . . . . 0.0 109.795 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 28' ' ' GLN . 76.8 mt -71.53 -52.83 23.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.19 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -53.83 -46.56 71.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.433 -0.792 . . . . 0.0 109.413 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.9 pt-20 -64.1 -28.69 69.95 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.177 -1.409 . . . . 0.0 110.614 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.647 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.91 -40.54 95.83 Favored 'General case' 0 C--O 1.195 -1.772 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.593 173.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.7 mt -59.44 -47.14 86.64 Favored 'General case' 0 C--N 1.281 -2.403 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.471 -178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.87 -57.84 4.99 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.933 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.34 -53.17 18.46 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -177.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.06 -51.34 68.19 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -56.99 -39.86 75.46 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.157 -0.964 . . . . 0.0 108.478 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 m -60.86 -61.68 2.41 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.1 tp -57.94 -35.52 71.23 Favored 'General case' 0 C--O 1.196 -1.739 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.894 -177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.4 -51.03 65.27 Favored 'General case' 0 C--N 1.288 -2.068 0 O-C-N 121.104 -0.998 . . . . 0.0 108.926 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -61.82 -45.29 94.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.883 -1.135 . . . . 0.0 108.509 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.728 ' SD ' HD11 ' A' ' 46' ' ' LEU . 84.4 mtp -69.77 -12.79 61.9 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.807 -0.558 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -47.27 27.86 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 176.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.702 ' CB ' HH12 ' B' ' 55' ' ' ARG . 0.5 OUTLIER -56.37 -44.52 80.24 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.816 174.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' B' ' 56' ' ' LEU . 4.8 mm-40 -64.17 -56.78 12.34 Favored 'General case' 0 C--O 1.185 -2.293 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.564 ' ND2' HD21 ' A' ' 53' ' ' ASN . 7.1 m-80 -45.94 -47.72 16.43 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.652 0.739 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -57.97 -63.13 1.36 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-O 121.736 0.779 . . . . 0.0 109.205 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.702 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER -62.01 -63.74 1.15 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' A' ' 57' ' ' ARG . 12.5 mt -34.32 -54.69 0.52 Allowed 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 122.683 0.393 . . . . 0.0 111.603 -176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.564 ' HG3' HD21 ' A' ' 56' ' ' LEU . 1.2 mpt_? -62.19 -50.0 73.58 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.784 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.56 -54.68 43.69 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.31 -52.81 41.9 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 10.7 t -57.73 -49.21 77.32 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -63.33 -41.23 98.87 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 118.868 -1.133 . . . . 0.0 108.043 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -81.1 20.54 0.8 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.451 -0.781 . . . . 0.0 111.141 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 63' ' ' LEU . 4.2 mt -109.43 116.08 31.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 173.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.59 137.18 13.35 Favored Glycine 0 N--CA 1.499 2.9 0 O-C-N 121.053 -1.03 . . . . 0.0 110.845 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.0 56.88 3.96 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -69.35 -6.76 31.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -1.117 . . . . 0.0 109.555 -178.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -46.84 -34.04 5.02 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.547 -0.721 . . . . 0.0 109.691 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -34.83 59.46 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.589 ' HG3' HG13 ' A' ' 70' ' ' VAL . 29.0 tpt180 -67.74 -41.89 82.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.593 HG13 ' HG3' ' A' ' 69' ' ' ARG . 46.7 t -53.27 -56.38 8.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -58.57 -39.5 80.48 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.39 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.6 mt-10 -54.14 -46.78 72.31 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 28.0 mt -69.79 -39.13 76.79 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.261 -0.576 . . . . 0.0 109.825 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.58 -35.98 82.28 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 118.71 -1.196 . . . . 0.0 107.976 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 72' ' ' GLU . 11.8 mt -65.97 -46.95 76.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.785 -1.197 . . . . 0.0 108.063 176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.22 -43.03 87.52 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 80' ' ' LEU . 20.4 mt -59.9 -44.09 94.46 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -57.95 -45.04 87.27 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -45.12 80.15 Favored 'General case' 0 C--N 1.289 -2.042 0 O-C-N 121.464 -0.773 . . . . 0.0 109.69 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 12.9 mt -71.98 -38.07 69.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 78' ' ' ASP . 10.5 mtm-85 -61.79 -35.49 78.32 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.57 85.17 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.98 -49.86 68.64 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -48.73 -49.05 39.9 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.4 OUTLIER -57.3 -54.11 50.5 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.458 HE21 ' C ' ' B' ' 86' ' ' GLN . 0.0 OUTLIER -55.63 -51.61 66.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.528 -0.733 . . . . 0.0 109.66 -178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.6 mt -67.39 -49.36 64.21 Favored 'General case' 0 C--N 1.284 -2.282 0 O-C-N 121.865 -0.522 . . . . 0.0 109.997 -175.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -48.0 82.58 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 118.455 -1.298 . . . . 0.0 109.429 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' B' ' 93' ' ' LEU . 7.7 mt-10 -62.75 -46.31 88.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.18 -0.95 . . . . 0.0 109.044 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.44 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 28.1 t-20 -55.64 -48.72 74.51 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.415 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 1.4 mm-40 -57.21 -44.67 83.91 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.659 -0.651 . . . . 0.0 109.605 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' B' ' 90' ' ' GLU . 5.3 mt -59.62 -51.51 69.5 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.611 -1.306 . . . . 0.0 109.632 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.479 ' O ' ' NH2' ' B' ' 99' ' ' ARG . 1.4 t-80 -71.8 -22.74 61.53 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.218 -0.993 . . . . 0.0 110.208 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.44 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt85 -83.93 -49.49 8.93 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 122.033 0.92 . . . . 0.0 108.698 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' B' ' 98' ' ' GLU . 31.6 mt-30 -67.11 -56.91 8.01 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' ALA . 5.2 mp0 -81.43 44.38 0.79 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.547 ' O ' ' NE ' ' B' ' 99' ' ' ARG . 4.5 tp10 8.66 -97.35 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.515 1.126 . . . . 0.0 111.552 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.612 ' NH1' ' OG ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -113.62 38.17 3.01 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.261 -1.524 . . . . 0.0 109.377 -178.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.646 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -76.07 -66.74 0.36 Allowed Pre-proline 0 C--N 1.297 -1.68 0 O-C-N 121.29 -0.881 . . . . 0.0 109.265 177.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.646 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 2.7 Cg_exo -33.23 91.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 123.718 2.945 . . . . 0.0 112.802 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 24.0 mt 38.0 36.85 0.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 121.059 0.457 . . . . 0.0 109.801 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.575 ' OG ' ' NH1' ' A' ' 99' ' ' ARG . 53.3 m -122.24 24.72 9.3 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.192 -0.943 . . . . 0.0 111.315 -173.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.4 pttm -69.72 63.04 0.18 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.6 OUTLIER 67.94 -64.51 0.28 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 68.81 -75.39 0.31 Allowed Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.982 -1.074 . . . . 0.0 110.419 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 N--CA 1.504 2.258 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 1 N-CA-C 102.015 -4.434 . . . . 0.0 102.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.66 -119.4 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.526 -0.984 . . . . 0.0 108.481 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.55 ' O ' ' N ' ' A' ' 5' ' ' GLY . 20.5 mtp -118.16 -42.57 2.79 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.095 -1.003 . . . . 0.0 108.787 176.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.83 -65.72 0.09 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -85.56 78.88 1.93 Allowed Glycine 0 C--N 1.284 -2.331 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 175.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.88 -104.43 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 28.11 2.34 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.07 61.47 0.19 Allowed 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.519 -0.989 . . . . 0.0 110.142 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.48 160.64 5.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 20.0 p90 -73.43 117.85 15.67 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -94.02 113.57 25.57 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 33' ' ' GLN . 27.9 mt-30 -58.49 127.24 31.17 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -154.32 132.66 11.92 Favored 'General case' 0 C--N 1.281 -2.412 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.93 171.46 8.34 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 1.2 m-30 -134.55 44.96 2.62 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -35.29 76.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 108.513 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' B' ' 37' ' ' LYS . 28.6 mp0 -70.72 57.91 0.2 Allowed 'General case' 0 C--N 1.283 -2.292 0 O-C-N 121.564 -0.71 . . . . 0.0 109.815 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 73.95 123.16 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.55 0.691 . . . . 0.0 109.989 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.51 -178.42 5.24 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 46.9 39.24 7.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.424 -0.798 . . . . 0.0 109.421 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NE ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.33 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.942 -0.474 . . . . 0.0 109.803 -178.744 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.3 m-85 -60.45 177.06 0.3 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 25' ' ' GLU . 1.7 t60 -56.59 86.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.0 109.43 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.919 HG22 HE22 ' A' ' 28' ' ' GLN . 1.0 OUTLIER -81.9 -28.78 32.71 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -176.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.4 mt-10 -34.17 -66.95 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.928 -0.482 . . . . 0.0 110.378 -175.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.75 -34.26 0.61 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.803 -0.561 . . . . 0.0 110.342 -176.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' B' ' 36' ' ' ILE . 27.4 mt -72.13 -43.5 64.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.865 -1.147 . . . . 0.0 109.496 177.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.919 HE22 HG22 ' A' ' 24' ' ' THR . 3.2 mp0 -70.14 -36.68 74.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.334 -1.478 . . . . 0.0 108.55 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m-20 -56.83 -14.94 3.86 Favored 'General case' 0 C--N 1.282 -2.328 0 O-C-N 122.151 -0.343 . . . . 0.0 110.578 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 26' ' ' SER . 5.4 mtm -99.84 158.2 15.97 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.23 -0.918 . . . . 0.0 110.437 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.69 147.23 24.62 Favored 'General case' 0 C--N 1.272 -2.794 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 11.4 ttpt -47.83 -46.0 30.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.41 -0.806 . . . . 0.0 110.864 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' B' ' 13' ' ' ARG . 17.6 mt-30 -55.41 -42.68 74.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.447 -0.783 . . . . 0.0 109.45 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 5.8 mt-10 -61.13 -62.28 1.96 Allowed 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.87 -35.4 6.34 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.639 0.733 . . . . 0.0 109.291 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.577 HD13 ' HG3' ' B' ' 28' ' ' GLN . 71.4 mt -72.2 -51.41 30.2 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' B' ' 17' ' ' GLU . 3.7 mmtp -56.21 -46.79 79.35 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.898 -1.126 . . . . 0.0 109.347 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 4.0 pt-20 -65.07 -31.29 72.43 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.0 m-85 -57.16 -40.42 77.24 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.517 172.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD21 HG23 ' B' ' 24' ' ' THR . 9.3 mt -60.59 -48.6 81.07 Favored 'General case' 0 C--N 1.283 -2.288 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.361 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.2 -59.11 4.45 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.051 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -49.19 -54.62 15.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.68 -0.637 . . . . 0.0 109.747 -178.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -57.01 -49.87 74.45 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -55.82 -43.44 76.97 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -58.06 -61.87 2.23 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.544 -0.723 . . . . 0.0 109.438 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.08 -36.7 68.41 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.189 -0.944 . . . . 0.0 109.325 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 m -60.34 -54.7 42.52 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.46 -43.4 79.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.619 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.3 mmm -68.9 -25.35 64.56 Favored 'General case' 0 C--O 1.181 -2.532 0 O-C-N 121.507 -0.745 . . . . 0.0 109.079 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.28 -2.426 0 O-C-N 120.494 -1.379 . . . . 0.0 108.64 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 2.7 m-20 -63.56 -60.96 2.66 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.26 -52.53 64.13 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.61 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.763 HD21 HD21 ' B' ' 53' ' ' ASN . 5.9 m-80 -53.5 -44.77 69.31 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.538 -0.726 . . . . 0.0 109.405 -174.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -53.47 -61.74 2.11 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' NH2' ' OD1' ' A' ' 51' ' ' ASP . 1.4 mpp_? -62.04 -64.61 0.88 Allowed 'General case' 0 C--O 1.197 -1.684 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 19.1 mt -34.63 -56.17 0.54 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.071 0.463 . . . . 0.0 111.72 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.02 -41.79 99.64 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.891 -0.506 . . . . 0.0 109.856 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.72 -41.02 79.61 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 108.458 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.0 -64.8 0.8 Allowed 'General case' 0 C--N 1.274 -2.688 0 CA-C-O 121.445 0.64 . . . . 0.0 109.47 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 p -40.76 -46.28 2.62 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.834 -0.541 . . . . 0.0 111.88 -176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.92 75.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.712 -1.242 . . . . 0.0 108.633 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -81.43 27.3 0.43 Allowed 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.9 mt -128.8 147.23 50.77 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.937 -1.102 . . . . 0.0 111.212 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.628 ' H ' ' C ' ' B' ' 64' ' ' GLY . . . -132.19 -114.96 1.63 Allowed Glycine 0 N--CA 1.512 3.734 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' B' ' 64' ' ' GLY . . . 151.83 77.39 0.02 OUTLIER Glycine 1 N--CA 1.519 4.188 0 N-CA-C 107.294 -2.322 . . . . 0.0 107.294 177.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -151.11 -9.66 0.23 Allowed 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.873 -0.781 . . . . 0.0 110.109 -170.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -36.18 6.69 Favored 'General case' 0 N--CA 1.517 2.877 0 O-C-N 121.366 -0.834 . . . . 0.0 110.744 -176.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.96 62.95 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 72' ' ' GLU . 8.8 tpp180 -76.04 -43.65 42.93 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 173.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG13 HD11 ' B' ' 73' ' ' LEU . 70.3 t -49.02 -52.8 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 17.5 ttm105 -56.22 -46.49 79.48 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.049 -177.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HA ' HD12 ' A' ' 75' ' ' LEU . 94.6 mt-10 -59.67 -42.27 92.5 Favored 'General case' 0 C--N 1.285 -2.2 0 C-N-CA 119.004 -1.078 . . . . 0.0 108.753 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.599 ' CD1' HG13 ' B' ' 70' ' ' VAL . 64.0 mt -66.02 -37.44 85.91 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.29 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.51 -49.05 76.87 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 72' ' ' GLU . 5.5 mt -58.77 -41.29 86.24 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.99 -43.38 92.77 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' B' ' 73' ' ' LEU . 27.0 mt -60.98 -44.72 96.97 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.293 -0.879 . . . . 0.0 108.794 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' CG ' HH22 ' A' ' 81' ' ' ARG . 0.4 OUTLIER -58.91 -42.32 89.34 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.63 177.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 19.6 tpp180 -59.66 -56.26 24.11 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 10.1 mt -57.06 -43.71 82.3 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.43 -0.794 . . . . 0.0 109.213 -178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' A' ' 78' ' ' ASP . 7.7 mtm-85 -60.07 -34.84 73.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -63.12 -52.63 61.81 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.21 -52.98 59.54 Favored 'General case' 0 C--O 1.193 -1.909 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -52.83 -49.84 64.91 Favored 'General case' 0 C--O 1.19 -2.04 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.678 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.44 -55.1 35.65 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -57.41 -54.8 42.7 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.451 0.643 . . . . 0.0 109.783 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 12.6 mt -61.86 -49.91 74.35 Favored 'General case' 0 C--N 1.283 -2.304 0 O-C-N 121.393 -0.817 . . . . 0.0 110.479 -176.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -51.69 68.25 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -44.8 90.06 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.044 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.429 ' CD ' HH22 ' B' ' 95' ' ' ARG . 3.7 mm-40 -64.23 -36.74 85.06 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.884 -1.135 . . . . 0.0 109.66 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.519 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 55.7 t30 -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 1.2 mm-40 -54.97 -52.72 62.18 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 173.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' C ' HE21 ' A' ' 97' ' ' GLN . 0.4 OUTLIER -54.41 -23.66 16.74 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -0.819 . . . . 0.0 110.121 179.264 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' B' ' 94' ' ' HIS . 7.0 t-160 -86.22 -68.09 0.76 Allowed 'General case' 0 C--N 1.286 -2.153 0 O-C-N 121.631 -0.668 . . . . 0.0 109.953 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.519 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 7.9 mmt180 -50.94 -44.16 60.27 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.537 0.684 . . . . 0.0 110.363 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.605 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 76.6 mt-30 -50.35 -45.68 55.24 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.605 ' NE2' ' HB2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -109.01 23.35 14.67 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.549 -0.719 . . . . 0.0 110.523 -175.465 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.525 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -68.38 -96.29 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.679 178.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.51 ' N ' ' HD2' ' A' ' 99' ' ' ARG . 3.3 mmm180 -84.66 44.47 1.06 Allowed 'General case' 0 C--N 1.292 -1.903 0 O-C-N 120.654 -1.278 . . . . 0.0 107.843 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' H ' ' HD2' ' A' ' 101' ' ' PRO . . . -88.12 -55.59 0.33 Allowed Pre-proline 0 N--CA 1.491 1.615 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.352 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.613 ' HD2' ' H ' ' A' ' 100' ' ' ALA . 1.9 Cg_endo -41.24 95.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.909 2.406 . . . . 0.0 112.21 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.67 -43.48 98.69 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.09 132.94 48.48 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.57 50.55 3.51 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -67.46 44.78 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.471 -0.768 . . . . 0.0 110.182 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 63.87 41.97 98.58 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.499 2.007 0 O-C-N 121.431 -1.04 . . . . 0.0 108.276 178.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 1 N-CA-C 102.943 -4.063 . . . . 0.0 102.943 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.45 -124.03 2.19 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.113 -1.228 . . . . 0.0 108.226 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.501 ' O ' ' N ' ' B' ' 5' ' ' GLY . 9.8 mtp -112.86 -42.65 3.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.159 -0.963 . . . . 0.0 108.656 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.93 -67.79 0.1 Allowed 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -84.7 77.09 2.15 Favored Glycine 0 C--N 1.285 -2.304 0 N-CA-C 107.294 -2.323 . . . . 0.0 107.294 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -68.35 -110.03 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 122.067 -0.667 . . . . 0.0 109.351 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 29.71 2.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.62 0.18 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.955 -0.732 . . . . 0.0 109.924 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 148.17 12.37 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.401 ' O ' ' CG ' ' B' ' 10' ' ' PHE . 26.3 p90 -64.39 117.0 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.424 -0.911 . . . . 0.0 108.623 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.64 120.3 31.6 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.085 -1.009 . . . . 0.0 109.069 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 26.7 mt-30 -62.15 131.52 49.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 176.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -159.33 128.94 5.48 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.925 -1.11 . . . . 0.0 109.333 -176.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -164.94 175.88 9.14 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' B' ' 21' ' ' ARG . 1.1 m-30 -139.59 34.69 2.02 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -36.11 63.61 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 37' ' ' LYS . 19.3 mp0 -70.2 58.38 0.17 Allowed 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.568 -0.708 . . . . 0.0 109.679 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.45 110.8 0.07 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.337 0.589 . . . . 0.0 110.447 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.6 177.1 2.12 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 48.95 44.29 22.31 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.653 ' H ' ' NE ' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -53.51 174.62 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.559 ' O ' ' N ' ' B' ' 24' ' ' THR . 4.6 m-85 -63.67 -179.18 0.35 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 175.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' B' ' 25' ' ' GLU . 2.6 t60 -59.51 82.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.315 -0.866 . . . . 0.0 108.69 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.962 HG22 HE22 ' B' ' 28' ' ' GLN . 1.9 m -80.17 -25.2 39.88 Favored 'General case' 0 C--N 1.272 -2.787 0 O-C-N 121.63 -0.669 . . . . 0.0 109.588 -176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.2 mt-10 -34.09 -67.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.995 -0.441 . . . . 0.0 110.625 -176.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.7 OUTLIER -41.8 -33.63 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.6 -0.688 . . . . 0.0 110.7 -176.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' HG12 ' A' ' 36' ' ' ILE . 19.0 mt -72.54 -43.3 63.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.661 -1.275 . . . . 0.0 109.164 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.962 HE22 HG22 ' B' ' 24' ' ' THR . 2.9 mp0 -70.74 -35.84 72.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.421 -1.424 . . . . 0.0 108.768 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 15.0 m-20 -59.13 -14.55 10.59 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 122.085 -0.384 . . . . 0.0 110.939 -178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.504 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 29.1 mtm -101.42 162.12 13.13 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.077 -1.015 . . . . 0.0 110.767 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.79 151.38 22.42 Favored 'General case' 0 C--N 1.278 -2.532 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 28' ' ' GLN . 13.4 ttpt -52.26 -43.71 64.52 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.428 -175.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NE ' ' A' ' 13' ' ' ARG . 23.1 mt-30 -56.26 -42.87 78.1 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.649 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 11.4 mt-10 -60.78 -63.33 1.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.52 -36.74 4.76 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 28' ' ' GLN . 70.1 mt -71.4 -49.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 17' ' ' GLU . 3.1 mmtp -58.0 -48.2 80.75 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.166 -0.959 . . . . 0.0 109.35 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' B' ' 34' ' ' GLU . 3.8 pt-20 -62.98 -31.18 72.25 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 118.461 -1.295 . . . . 0.0 109.441 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.552 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 2.9 m-85 -57.84 -40.86 81.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.201 . . . . 0.0 111.663 172.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.18 -50.8 72.64 Favored 'General case' 0 C--N 1.282 -2.332 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.285 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.67 -59.51 4.5 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.314 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.63 -54.06 13.0 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.353 0.597 . . . . 0.0 109.631 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.89 -52.15 66.28 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -55.07 -45.4 75.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -57.04 -61.67 2.29 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.67 -0.644 . . . . 0.0 109.382 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 49' ' ' MET . 11.1 tp -54.99 -36.03 64.97 Favored 'General case' 0 C--O 1.19 -2.048 0 O-C-N 121.125 -0.985 . . . . 0.0 109.649 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 9.4 m -63.08 -50.53 70.21 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.16 -0.962 . . . . 0.0 108.918 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -57.69 -44.94 86.2 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.643 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 22.4 mmm -65.29 -26.61 68.15 Favored 'General case' 0 C--O 1.174 -2.893 0 O-C-N 121.656 -0.653 . . . . 0.0 109.654 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.11 -45.43 70.22 Favored 'General case' 0 C--N 1.278 -2.511 0 O-C-N 120.314 -1.491 . . . . 0.0 108.626 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.498 ' HB3' ' NH2' ' B' ' 55' ' ' ARG . 2.0 m-20 -56.63 -59.09 5.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.72 -50.08 75.24 Favored 'General case' 0 C--O 1.184 -2.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.763 HD21 HD21 ' A' ' 53' ' ' ASN . 4.1 m-80 -56.35 -45.5 80.41 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 109.39 -173.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -53.45 -60.73 2.92 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' B' ' 51' ' ' ASP . 2.0 mpp_? -62.42 -62.71 1.56 Allowed 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.455 -178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 56' ' ' LEU . 18.7 mt -34.97 -57.7 0.54 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 122.912 0.485 . . . . 0.0 111.572 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.318 0.58 . . . . 0.0 109.61 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.66 -35.47 80.88 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.12 -0.987 . . . . 0.0 108.859 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.67 -65.13 0.94 Allowed 'General case' 0 C--N 1.261 -3.249 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -38.56 -48.43 1.42 Allowed 'General case' 0 N--CA 1.504 2.236 0 CA-C-O 121.385 0.612 . . . . 0.0 111.761 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -44.07 78.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.754 -1.216 . . . . 0.0 109.059 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -79.32 24.92 0.32 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 121.238 -0.914 . . . . 0.0 109.188 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.1 mt -124.58 163.51 21.79 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.124 -0.985 . . . . 0.0 110.835 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 64' ' ' GLY . . . -150.49 -114.14 0.65 Allowed Glycine 0 N--CA 1.506 3.33 0 N-CA-C 107.182 -2.367 . . . . 0.0 107.182 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' HA2' ' HA3' ' A' ' 64' ' ' GLY . . . 150.48 78.27 0.02 OUTLIER Glycine 1 N--CA 1.519 4.22 0 O-C-N 119.556 -2.144 . . . . 0.0 107.761 177.431 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.406 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -152.39 -13.13 0.18 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.997 -0.707 . . . . 0.0 110.291 -171.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -35.78 2.07 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-O 121.777 0.799 . . . . 0.0 111.15 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.23 -34.93 71.23 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 72' ' ' GLU . 8.4 tpp180 -68.85 -45.17 71.78 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 173.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 73' ' ' LEU . 63.4 t -48.65 -50.97 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.467 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 13.1 ttm105 -58.29 -47.22 84.36 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.679 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' B' ' 75' ' ' LEU . 89.3 mt-10 -56.72 -44.52 81.7 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.204 -0.935 . . . . 0.0 108.651 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 70' ' ' VAL . 56.5 mt -66.18 -36.98 84.53 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.01 -48.37 80.59 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.1 mt -60.8 -38.95 87.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.414 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.6 tp10 -67.1 -43.43 82.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.533 HD12 HD22 ' A' ' 73' ' ' LEU . 35.8 mt -62.7 -42.84 99.85 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.55 ' CG ' HH22 ' B' ' 81' ' ' ARG . 0.5 OUTLIER -59.45 -41.61 90.05 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 15.2 tpp180 -59.54 -56.92 15.89 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.606 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 11.3 mt -57.42 -40.69 78.91 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.508 -0.745 . . . . 0.0 109.401 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' B' ' 78' ' ' ASP . 6.3 mtm-85 -63.3 -37.56 87.73 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.2 -50.36 74.32 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.23 -51.81 68.2 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -50.87 -50.54 56.82 Favored 'General case' 0 C--O 1.191 -1.996 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.11 -55.58 31.25 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -55.43 -57.62 11.13 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.435 0.636 . . . . 0.0 109.748 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.578 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.4 mt -61.72 -51.42 68.46 Favored 'General case' 0 C--N 1.287 -2.141 0 O-C-N 121.814 -0.554 . . . . 0.0 110.738 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -59.52 -52.66 64.62 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.437 ' O ' HD12 ' B' ' 93' ' ' LEU . 0.5 OUTLIER -59.4 -43.08 93.03 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.345 -179.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.47 ' CD ' HH22 ' A' ' 95' ' ' ARG . 2.2 mm-40 -63.99 -36.57 84.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.634 -1.291 . . . . 0.0 109.326 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.507 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 57.4 t30 -62.15 -46.61 88.22 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.515 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 1.4 mt-10 -55.02 -53.01 61.31 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 173.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.438 ' C ' HE21 ' B' ' 97' ' ' GLN . 0.3 OUTLIER -54.47 -23.64 16.98 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.801 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.542 ' CD2' ' CD2' ' A' ' 94' ' ' HIS . 6.5 t-160 -86.38 -67.59 0.8 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 122.143 0.973 . . . . 0.0 109.857 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.507 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 7.9 mmt180 -50.56 -44.48 56.65 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.529 0.68 . . . . 0.0 110.429 -176.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.593 ' HB2' ' NE2' ' B' ' 97' ' ' GLN . 66.2 mt-30 -50.47 -43.95 55.55 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -176.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' B' ' 96' ' ' GLN . 0.0 OUTLIER -105.24 6.3 32.79 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.38 -0.825 . . . . 0.0 111.305 -174.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' B' ' 94' ' ' HIS . 2.6 mm-40 -53.28 -86.52 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.38 -0.825 . . . . 0.0 110.567 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' B' ' 99' ' ' ARG . 3.9 mmm180 -95.41 32.6 1.74 Allowed 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.693 -1.255 . . . . 0.0 107.918 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.563 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -74.36 -55.41 2.84 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.656 -0.653 . . . . 0.0 109.513 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -38.58 100.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 0 C-N-CA 123.133 2.555 . . . . 0.0 113.049 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.96 -42.47 80.87 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 137.01 47.63 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.1 50.37 10.12 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -67.87 49.51 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.632 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.84 97.68 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.192 -1.946 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.475 1.247 1 N-CA-C 101.821 -4.512 . . . . 0.0 101.821 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.84 70.2 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.203 -1.175 . . . . 0.0 109.946 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 4.3 mmm -159.23 94.89 1.22 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.87 111.4 22.13 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.38 120.58 21.82 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 7' ' ' GLY . 8.2 t70 -64.57 -154.75 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.874 0 O-C-N 121.576 -0.955 . . . . 0.0 109.645 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 155.99 153.52 6.62 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 120.676 -1.265 . . . . 0.0 110.167 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 m -134.27 137.84 44.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 0.0 108.703 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.2 mm-40 -74.97 61.11 1.02 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 2.8 p90 -18.26 115.07 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.375 0 C-N-CA 123.939 0.896 . . . . 0.0 112.219 -177.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -58.49 123.66 16.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.57 121.38 15.23 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -132.46 66.76 1.55 Allowed 'General case' 0 C--N 1.281 -2.398 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -67.72 174.77 3.33 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.515 0.674 . . . . 0.0 111.24 -173.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -72.02 55.8 0.3 Allowed 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -37.73 -51.03 1.24 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.866 0.466 . . . . 0.0 111.422 -177.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.7 33.04 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.212 -0.93 . . . . 0.0 110.64 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.514 ' H ' ' C ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -158.67 46.97 0.32 Allowed 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -135.83 166.27 23.68 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 121.166 -0.959 . . . . 0.0 109.369 -178.044 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 22' ' ' TYR . 2.0 mp0 -137.07 22.99 3.04 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 23' ' ' HIS . 11.0 mmm-85 -83.54 60.13 5.5 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.793 0.806 . . . . 0.0 108.936 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.472 ' CZ ' ' HA ' ' A' ' 20' ' ' GLU . 10.2 m-85 -65.71 56.19 0.03 OUTLIER 'General case' 0 C--N 1.254 -3.573 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -140.75 179.33 6.76 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.428 -177.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -45.99 -43.02 13.86 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.098 179.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 24' ' ' THR . 4.2 mt-10 -33.43 -65.21 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 122.045 -0.409 . . . . 0.0 110.559 -177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -40.06 1.91 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.42 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.95 -44.72 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.956 -1.09 . . . . 0.0 109.649 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.898 ' NE2' HG22 ' A' ' 24' ' ' THR . 4.7 mp0 -71.15 -31.41 67.67 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.658 -1.276 . . . . 0.0 108.922 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -70.75 -7.75 47.21 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.278 -0.969 . . . . 0.0 108.416 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.76 160.08 14.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -89.09 144.22 26.29 Favored 'General case' 0 C--N 1.281 -2.374 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.8 ttpm? -48.67 -47.6 40.52 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.524 -0.735 . . . . 0.0 111.735 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.65 -28.41 67.69 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.119 -175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 31' ' ' SER . 3.8 mt-10 -65.24 -60.65 2.77 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LYS . 4.7 mt -46.65 -34.47 5.08 Favored 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.799 0.809 . . . . 0.0 109.223 178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 HD13 HE21 ' B' ' 28' ' ' GLN . 18.8 mt -70.01 -51.82 36.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.715 -0.616 . . . . 0.0 109.465 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -55.36 -47.07 76.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.017 -1.052 . . . . 0.0 109.166 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 2.6 pt-20 -61.59 -27.04 68.36 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.283 -1.367 . . . . 0.0 110.372 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.9 m-85 -61.05 -39.68 90.76 Favored 'General case' 0 CA--C 1.48 -1.738 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 172.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.65 -35.75 75.01 Favored 'General case' 0 C--N 1.279 -2.49 0 C-N-CA 118.318 -1.353 . . . . 0.0 107.823 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.18 -64.54 1.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 119.311 -0.955 . . . . 0.0 109.738 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' B' ' 42' ' ' LEU . 1.2 tp -55.56 -39.74 71.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 110.304 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -65.46 -56.97 9.52 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 3.3 mmtm -56.52 -43.27 79.64 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.99 -62.21 1.91 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' B' ' 49' ' ' MET . 15.9 tp -55.33 -37.61 67.66 Favored 'General case' 0 C--O 1.194 -1.821 0 O-C-N 121.188 -0.945 . . . . 0.0 109.52 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -63.02 -45.37 92.64 Favored 'General case' 0 C--N 1.286 -2.186 0 O-C-N 121.174 -0.954 . . . . 0.0 109.043 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 48' ' ' ARG . 11.0 mtm180 -64.24 -43.01 96.24 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.471 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 10.6 mmm -66.52 -21.87 66.17 Favored 'General case' 0 C--O 1.175 -2.82 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.59 -50.72 23.49 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 120.707 -1.246 . . . . 0.0 108.284 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.36 -51.76 65.73 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.26 -48.03 74.67 Favored 'General case' 0 C--O 1.182 -2.46 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.141 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.688 HD21 ' ND2' ' B' ' 53' ' ' ASN . 1.0 OUTLIER -57.88 -42.89 85.53 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.416 -0.803 . . . . 0.0 109.259 -175.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -53.23 -58.24 7.73 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' NH1' ' OE2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.12 -64.43 0.91 Allowed 'General case' 0 C--O 1.193 -1.921 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 18.5 mt -34.33 -61.0 0.39 Allowed 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 123.276 0.63 . . . . 0.0 111.218 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' B' ' 52' ' ' GLU . 10.9 mtt85 -56.92 -43.43 81.41 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' O ' ' NZ ' ' A' ' 61' ' ' LYS . 84.1 mt -68.23 -37.36 80.73 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.547 -0.72 . . . . 0.0 109.318 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' O ' HD21 ' B' ' 63' ' ' LEU . 50.0 mt-10 -78.84 -66.14 0.9 Allowed 'General case' 0 C--N 1.269 -2.897 0 O-C-N 122.16 -0.338 . . . . 0.0 110.258 -178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.425 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -36.84 -48.71 0.76 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.531 -0.731 . . . . 0.0 111.497 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -54.46 -21.62 10.42 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 120.12 -1.613 . . . . 0.0 109.612 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.2 mtp180 -98.17 29.44 3.53 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.796 ' HA ' HD23 ' B' ' 63' ' ' LEU . 1.3 mt -57.76 42.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ARG . . . -146.18 43.08 0.91 Allowed Glycine 0 C--N 1.277 -2.708 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.94 47.31 0.46 Allowed Glycine 0 N--CA 1.495 2.606 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -138.62 -2.74 1.73 Allowed 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.225 -1.162 . . . . 0.0 108.081 176.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -42.58 -70.11 0.12 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.692 -0.63 . . . . 0.0 109.413 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 67' ' ' ASP . . . -41.22 -34.45 0.48 Allowed 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.013 -1.055 . . . . 0.0 110.83 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' B' ' 70' ' ' VAL . 1.9 tpt85 -68.1 -46.75 70.1 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 177.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.61 HG22 HG22 ' B' ' 70' ' ' VAL . 27.4 t -52.45 -56.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.64 -46.07 84.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.908 -175.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.63 -40.58 83.75 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 118.413 -1.315 . . . . 0.0 108.483 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD22 HD12 ' B' ' 77' ' ' LEU . 28.5 mt -66.07 -41.74 90.33 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.516 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HG2' HD13 ' B' ' 73' ' ' LEU . 0.6 OUTLIER -61.54 -45.26 94.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.923 -1.111 . . . . 0.0 108.6 178.078 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.61 -40.16 95.0 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB3' HD21 ' B' ' 77' ' ' LEU . 10.8 tp10 -61.41 -46.73 88.91 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD23 HD12 ' B' ' 80' ' ' LEU . 27.5 mt -57.01 -41.54 78.68 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.521 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 5.3 m-20 -62.17 -42.28 99.12 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -54.44 47.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD22 ' ND2' ' B' ' 84' ' ' ASN . 11.3 mt -57.71 -43.24 85.09 Favored 'General case' 0 C--O 1.201 -1.448 0 O-C-N 121.221 -0.924 . . . . 0.0 109.412 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HE ' ' HA ' ' A' ' 78' ' ' ASP . 1.3 mtp85 -61.69 -37.1 82.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.015 -1.053 . . . . 0.0 108.176 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.61 88.42 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.25 -46.39 70.58 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.526 HD21 ' ND2' ' B' ' 84' ' ' ASN . 7.3 m-80 -53.09 -50.89 63.49 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.2 tp -54.85 -53.87 49.82 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -57.97 -50.65 72.66 Favored 'General case' 0 C--N 1.29 -1.983 0 O-C-N 121.694 -0.629 . . . . 0.0 109.879 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 19.8 mt -61.89 -50.3 72.76 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 121.686 -0.634 . . . . 0.0 109.807 -177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -62.01 -43.62 98.44 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.211 -0.93 . . . . 0.0 108.871 179.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -45.0 90.22 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.852 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 93' ' ' LEU . 2.4 mm-40 -64.82 -46.75 80.66 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.925 -1.109 . . . . 0.0 108.34 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.418 ' CG ' ' HD2' ' A' ' 95' ' ' ARG . 42.1 t30 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 2.9 mt-10 -58.6 -46.29 87.31 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.441 -0.787 . . . . 0.0 108.994 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 97' ' ' GLN . 3.1 mt -59.5 -51.04 71.56 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.373 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 98' ' ' GLU . 1.8 t-160 -68.38 -33.82 74.94 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.471 -177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 91' ' ' ASN . 13.8 mtp-105 -71.53 -40.73 69.89 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 92' ' ' GLU . 30.8 mt-30 -85.32 -68.44 0.73 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.315 0.579 . . . . 0.0 110.155 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -151.05 113.6 4.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.749 -0.595 . . . . 0.0 110.132 -175.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -170.2 -138.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 175.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.512 ' H ' ' CG ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -68.05 62.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.39 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.667 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -129.55 -62.71 0.02 OUTLIER Pre-proline 0 C--N 1.291 -1.966 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.667 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.8 Cg_endo -45.84 110.53 0.26 Allowed 'Trans proline' 0 N--CA 1.482 0.798 0 C-N-CA 122.356 2.037 . . . . 0.0 109.738 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 104' ' ' LYS . 31.8 mt 60.33 13.12 3.79 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.55 -0.719 . . . . 0.0 109.503 -176.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER 54.13 -84.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.941 -0.475 . . . . 0.0 109.85 179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.9 mtpm? -143.19 29.07 1.48 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 176.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 64.51 -58.52 0.23 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.931 -0.481 . . . . 0.0 110.567 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . -62.15 -51.55 55.95 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 108.033 -2.027 . . . . 0.0 108.033 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.176 -2.789 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 175.763 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' B' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.481 1.668 1 N-CA-C 102.365 -4.294 . . . . 0.0 102.365 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.14 73.46 0.12 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.934 -1.333 . . . . 0.0 109.134 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.433 ' N ' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmm -162.21 90.98 0.77 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.46 109.63 21.61 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.85 122.9 31.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.2 -163.46 0.09 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.316 -1.108 . . . . 0.0 109.46 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 154.12 9.26 Favored Glycine 0 C--N 1.289 -2.07 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 10' ' ' PHE . 0.7 OUTLIER -133.02 131.87 41.2 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.154 -1.203 . . . . 0.0 108.299 178.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' B' ' 10' ' ' PHE . 1.4 mt-10 -68.55 54.75 0.08 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' B' ' 8' ' ' SER . 1.5 p90 -12.39 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 124.07 0.948 . . . . 0.0 112.183 -178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.83 HD22 ' H ' ' B' ' 11' ' ' LEU . 0.9 OUTLIER -58.53 121.75 11.7 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -65.09 124.09 21.2 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -133.18 75.55 1.63 Allowed 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.19 177.85 3.08 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.446 -0.783 . . . . 0.0 110.617 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -77.01 52.41 0.87 Allowed 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 18' ' ' THR . 0.1 OUTLIER -35.89 -56.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.082 0.553 . . . . 0.0 111.221 -177.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.93 42.8 0.05 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.106 -0.996 . . . . 0.0 110.268 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.483 ' H ' ' C ' ' B' ' 16' ' ' SER . 0.0 OUTLIER -170.15 41.91 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 177.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -134.31 169.3 17.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.381 -176.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' HA ' ' CZ ' ' B' ' 22' ' ' TYR . 3.6 mp0 -137.91 22.88 2.85 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' B' ' 23' ' ' HIS . 9.8 mmm180 -82.12 60.66 5.01 Favored 'General case' 0 C--N 1.278 -2.526 0 CA-C-O 122.17 0.986 . . . . 0.0 109.455 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 20' ' ' GLU . 12.5 m-85 -67.89 58.75 0.07 Allowed 'General case' 0 C--N 1.258 -3.408 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.1 OUTLIER -142.1 -164.14 1.74 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.088 -1.008 . . . . 0.0 109.6 -176.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.87 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.2 mt-10 -33.55 -67.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 122.236 -0.29 . . . . 0.0 110.557 -177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.13 -37.06 1.32 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.559 -0.713 . . . . 0.0 111.253 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 mt -68.98 -44.33 73.11 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.894 -1.129 . . . . 0.0 109.091 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.87 ' NE2' HG22 ' B' ' 24' ' ' THR . 3.7 mp0 -71.62 -30.19 65.51 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.831 -1.168 . . . . 0.0 108.806 175.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -69.92 -8.61 50.24 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.78 14.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -89.27 143.89 26.5 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -47.92 -47.5 32.29 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.549 -0.719 . . . . 0.0 111.221 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.97 -17.18 63.9 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.317 -0.953 . . . . 0.0 111.402 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 31' ' ' SER . 5.4 mt-10 -79.74 -55.68 4.83 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mt -49.94 -32.49 14.99 Favored 'General case' 0 N--CA 1.508 2.437 0 CA-C-O 122.109 0.957 . . . . 0.0 108.899 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.476 HG21 HE21 ' A' ' 28' ' ' GLN . 14.3 mt -69.1 -54.28 20.99 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 O-C-N 121.754 -0.591 . . . . 0.0 109.413 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.6 -44.19 72.84 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.95 -1.094 . . . . 0.0 109.671 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.473 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.9 pt-20 -63.17 -27.2 69.2 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 118.234 -1.386 . . . . 0.0 109.751 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -60.77 -40.88 94.17 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 120.666 -1.271 . . . . 0.0 110.941 172.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.0 -38.27 75.82 Favored 'General case' 0 C--N 1.275 -2.658 0 C-N-CA 118.283 -1.367 . . . . 0.0 107.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.1 -62.32 1.64 Allowed 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.309 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.735 HD23 HD23 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.53 -38.74 75.2 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.199 -0.938 . . . . 0.0 110.182 -176.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -66.04 -55.49 16.39 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 3.2 mmtm -59.82 -40.59 88.96 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 51.6 m -58.45 -60.01 4.46 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 17.9 tp -57.01 -36.55 70.54 Favored 'General case' 0 C--O 1.186 -2.27 0 O-C-N 121.377 -0.827 . . . . 0.0 109.23 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -61.65 -49.53 76.15 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.169 -0.957 . . . . 0.0 108.914 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 48' ' ' ARG . 10.9 mtm180 -61.91 -46.0 91.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.039 -1.038 . . . . 0.0 108.203 177.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 8.1 mmm -64.82 -23.43 67.24 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.99 -49.99 46.11 Favored 'General case' 0 C--N 1.278 -2.512 0 O-C-N 120.84 -1.163 . . . . 0.0 108.193 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.79 -54.22 49.33 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 57' ' ' ARG . 9.6 mt-10 -58.48 -48.6 80.24 Favored 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.578 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.688 ' ND2' HD21 ' A' ' 53' ' ' ASN . 6.6 m-80 -55.88 -43.99 77.71 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -54.71 -58.4 7.7 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.417 ' NH1' ' OE2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -62.29 -63.97 1.07 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 56' ' ' LEU . 17.7 mt -34.68 -61.0 0.42 Allowed 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 123.018 0.527 . . . . 0.0 112.001 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -37.95 83.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.962 -1.086 . . . . 0.0 110.068 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' NZ ' ' B' ' 61' ' ' LYS . 68.1 mt -69.89 -40.01 75.9 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.191 -0.943 . . . . 0.0 108.868 -178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.528 ' O ' HD21 ' A' ' 63' ' ' LEU . 51.3 mt-10 -76.78 -67.23 0.72 Allowed 'General case' 0 C--N 1.269 -2.895 0 O-C-N 121.666 -0.646 . . . . 0.0 109.427 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.417 ' C ' ' O ' ' B' ' 59' ' ' GLU . 4.7 m -35.72 -48.2 0.53 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.206 0.527 . . . . 0.0 111.314 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' B' ' 58' ' ' LEU . 0.7 OUTLIER -55.55 -25.68 39.14 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.105 -1.622 . . . . 0.0 109.306 -179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.551 ' C ' ' H ' ' B' ' 64' ' ' GLY . 22.2 mtp180 -91.75 30.73 1.31 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 63' ' ' LEU . 2.1 mt -61.16 34.38 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.408 -0.807 . . . . 0.0 111.838 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' B' ' 62' ' ' ARG . . . -137.02 48.7 0.89 Allowed Glycine 0 C--N 1.27 -3.118 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.79 -173.79 5.89 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' B' ' 67' ' ' ASP . 0.4 OUTLIER 74.71 -17.11 0.5 Allowed 'General case' 0 C--N 1.275 -2.657 0 CA-C-N 118.438 1.119 . . . . 0.0 109.906 -179.097 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -37.34 -66.89 0.21 Allowed 'General case' 0 N--CA 1.522 3.152 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -43.21 -31.56 0.62 Allowed 'General case' 0 C--N 1.286 -2.176 0 O-C-N 120.946 -1.096 . . . . 0.0 110.527 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 66' ' ' ASP . 2.8 tpt85 -68.41 -46.49 69.81 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.61 HG22 HG22 ' A' ' 70' ' ' VAL . 31.9 t -55.09 -56.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.3 OUTLIER -57.32 -44.6 84.32 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.096 -176.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.1 mt-10 -58.78 -39.28 80.59 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.432 -1.307 . . . . 0.0 108.218 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.489 ' CD1' HG13 ' A' ' 70' ' ' VAL . 27.9 mt -68.32 -41.07 81.38 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.846 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.436 ' CD ' HH12 ' A' ' 69' ' ' ARG . 0.9 OUTLIER -62.14 -44.59 96.3 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.834 -1.166 . . . . 0.0 108.499 178.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 72' ' ' GLU . 8.1 mt -64.75 -39.85 94.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -61.64 -48.09 82.44 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 80' ' ' LEU . 22.0 mt -57.18 -42.72 81.72 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 28.1 m-20 -59.41 -45.85 90.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -48.08 81.12 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -63.82 -44.65 92.6 Favored 'General case' 0 C--O 1.199 -1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 108.976 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 0.5 OUTLIER -59.51 -38.25 80.45 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.093 -1.004 . . . . 0.0 108.401 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.99 85.06 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.68 -49.24 63.76 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.526 ' ND2' HD21 ' A' ' 84' ' ' ASN . 29.4 m-80 -50.42 -50.21 52.61 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.46 -53.76 52.27 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.493 HE21 ' HG2' ' B' ' 90' ' ' GLU . 28.2 tp60 -54.78 -50.19 69.08 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.448 -0.782 . . . . 0.0 109.732 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 23.9 mt -64.44 -50.48 67.38 Favored 'General case' 0 C--N 1.279 -2.467 0 O-C-N 121.659 -0.65 . . . . 0.0 110.008 -176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -61.4 -43.05 99.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -46.17 82.69 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.691 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' B' ' 93' ' ' LEU . 4.4 mm-40 -64.13 -46.55 83.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.624 -1.297 . . . . 0.0 108.787 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' B' ' 95' ' ' ARG . 38.6 t30 -57.01 -44.17 82.54 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.45 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 2.3 mt-10 -58.0 -46.86 84.54 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' B' ' 90' ' ' GLU . 5.9 mt -58.63 -50.42 73.92 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.109 -1.036 . . . . 0.0 109.289 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.596 ' HA ' ' HB3' ' B' ' 98' ' ' GLU . 1.3 t-160 -66.82 -38.99 87.53 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.505 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 95' ' ' ARG . 7.7 mtp180 -67.2 -41.04 86.48 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 22.5 mt-30 -85.06 -65.96 0.95 Allowed 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.51 -0.743 . . . . 0.0 110.707 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -153.84 109.81 3.27 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.596 ' HB3' ' HA ' ' B' ' 94' ' ' HIS . 0.6 OUTLIER -169.29 -137.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.559 ' O ' ' NE2' ' B' ' 94' ' ' HIS . 0.7 OUTLIER -69.73 64.51 0.2 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.525 -0.734 . . . . 0.0 109.113 178.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.61 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -132.79 -59.83 0.02 OUTLIER Pre-proline 0 C--N 1.289 -2.049 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.61 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 1.4 Cg_endo -44.92 107.61 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 122.71 2.273 . . . . 0.0 110.71 173.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' B' ' 104' ' ' LYS . 20.5 mt 59.78 16.86 5.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER 50.62 -89.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' B' ' 106' ' ' GLY . 3.3 mtpm? -138.09 29.95 2.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.755 -1.216 . . . . 0.0 108.096 175.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 64.44 -62.98 0.17 Allowed 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 121.139 0.495 . . . . 0.0 109.915 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . -58.04 -42.87 95.23 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.191 -2.004 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.259 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 1 N-CA-C 103.028 -4.029 . . . . 0.0 103.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . -71.53 -25.15 62.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.028 -1.278 . . . . 0.0 108.724 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.2 mmt -65.83 70.92 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.731 -0.605 . . . . 0.0 109.45 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -95.95 165.92 12.03 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.59 124.59 4.92 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.58 -141.78 0.24 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.18 70.95 0.01 OUTLIER Glycine 0 C--N 1.278 -2.643 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -119.36 26.09 9.66 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 121.461 -1.023 . . . . 0.0 108.532 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.73 65.68 0.22 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' SER . 8.4 p90 -57.5 137.53 56.15 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.083 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -69.77 166.1 20.0 Favored 'General case' 0 C--N 1.278 -2.515 0 O-C-N 121.853 -0.529 . . . . 0.0 109.732 -178.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -79.67 166.81 21.44 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -87.26 -167.48 1.9 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.265 -0.897 . . . . 0.0 110.334 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.4 t0 51.62 59.94 4.21 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 121.997 0.903 . . . . 0.0 109.159 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -71.69 54.88 0.25 Allowed 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' A' ' 18' ' ' THR . 0.1 OUTLIER -76.58 -103.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' ' NE2' ' B' ' 33' ' ' GLN . 2.9 mt-10 36.22 44.21 0.27 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.171 -0.955 . . . . 0.0 111.671 175.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -139.32 31.23 2.14 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.808 -1.183 . . . . 0.0 109.322 177.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 33' ' ' GLN . 2.2 m-85 -87.8 168.89 12.54 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 120.889 -1.132 . . . . 0.0 109.683 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.48 38.82 1.88 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 24' ' ' THR . 3.0 mmp_? -86.49 102.89 14.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 24' ' ' THR . 64.7 m-85 -88.43 173.48 8.68 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 22' ' ' TYR . 0.8 OUTLIER 66.59 -56.24 0.4 Allowed 'General case' 0 N--CA 1.521 3.104 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -172.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.9 m -50.3 -16.96 0.38 Allowed 'General case' 0 C--N 1.28 -2.431 0 C-N-CA 125.115 1.366 . . . . 0.0 109.452 172.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . 29.2 mt-10 -34.33 -60.83 0.4 Allowed 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.965 -0.459 . . . . 0.0 110.783 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -42.07 7.58 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.119 -0.988 . . . . 0.0 110.371 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' THR . 30.3 mt -63.28 -41.48 99.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.797 -1.19 . . . . 0.0 108.775 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.809 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -78.07 -28.49 48.85 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.483 178.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 95.6 m-20 -77.79 -5.98 52.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.824 . . . . 0.0 110.37 -176.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.551 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -88.43 162.97 16.2 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.55 134.48 33.86 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.744 ' HD3' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -38.54 -42.73 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.398 0.618 . . . . 0.0 109.92 -176.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 25.3 mp0 -57.44 -39.21 75.77 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 122.019 -0.425 . . . . 0.0 111.007 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.37 -44.03 65.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.318 -0.864 . . . . 0.0 109.328 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.2 mt -56.8 -45.02 82.46 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.975 1.369 . . . . 0.0 107.438 177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.744 HD11 ' HD3' ' A' ' 32' ' ' LYS . 85.6 mt -56.06 -45.95 80.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 O-C-N 121.358 -0.839 . . . . 0.0 109.567 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -58.45 -52.88 63.74 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.928 -1.108 . . . . 0.0 109.734 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.05 -34.2 75.8 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 m-85 -50.48 -46.9 57.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.894 -1.129 . . . . 0.0 110.376 175.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.55 -38.05 88.53 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.638 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.55 -60.18 2.37 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.221 -0.992 . . . . 0.0 108.465 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.88 -57.03 6.2 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 123.705 0.802 . . . . 0.0 109.481 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 1.6 mt-10 -53.51 -53.58 49.48 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -58.85 -36.75 75.09 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.107 -0.996 . . . . 0.0 108.998 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.73 -60.0 4.54 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.801 HD11 ' SD ' ' B' ' 49' ' ' MET . 15.7 tp -58.81 -36.14 74.0 Favored 'General case' 0 C--O 1.18 -2.577 0 C-N-CA 119.331 -0.947 . . . . 0.0 109.615 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 m -63.14 -51.92 64.58 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.998 -1.064 . . . . 0.0 109.057 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -61.46 -42.8 99.33 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.757 ' SD ' HD11 ' B' ' 46' ' ' LEU . 75.6 mtp -71.79 -23.97 61.66 Favored 'General case' 0 C--O 1.165 -3.378 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.79 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.23 -44.66 78.94 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 120.531 -1.356 . . . . 0.0 108.515 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' CB ' HH12 ' A' ' 48' ' ' ARG . 15.5 m-20 -58.48 -56.26 24.47 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 121.696 0.76 . . . . 0.0 109.224 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.32 -38.4 81.51 Favored 'General case' 0 C--O 1.182 -2.474 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.412 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.603 ' ND2' HD21 ' B' ' 53' ' ' ASN . 1.9 m-80 -55.74 -47.28 77.23 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -54.22 -63.1 1.26 Allowed 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' LEU . 2.4 mmm-85 -58.19 -62.48 1.8 Allowed 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.31 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' ARG . 15.6 mt -34.55 -61.5 0.39 Allowed 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.107 0.479 . . . . 0.0 111.534 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' B' ' 52' ' ' GLU . 3.4 mtm180 -59.14 -30.63 68.29 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.177 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.28 -53.96 5.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.03 -53.82 30.16 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.432 -0.793 . . . . 0.0 108.935 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 p -51.27 -38.66 53.93 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.482 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -72.91 -40.22 65.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -87.05 18.81 3.37 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.542 -0.724 . . . . 0.0 109.333 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 10.7 mt -109.96 151.86 26.59 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -125.02 -126.34 3.01 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 107.882 -2.087 . . . . 0.0 107.882 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.33 56.01 0.01 OUTLIER Glycine 0 N--CA 1.504 3.198 0 N-CA-C 106.802 -2.519 . . . . 0.0 106.802 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -117.53 -6.06 11.18 Favored 'General case' 0 C--N 1.274 -2.687 0 O-C-N 121.779 -0.836 . . . . 0.0 109.284 -171.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 8.2 t70 -40.37 -37.73 0.71 Allowed 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 121.48 0.657 . . . . 0.0 111.579 -178.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.6 -38.6 62.55 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' NH1' ' OE1' ' A' ' 72' ' ' GLU . 14.9 tpp180 -62.49 -45.58 92.35 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' B' ' 73' ' ' LEU . 61.6 t -50.03 -54.1 9.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -55.92 -43.88 77.78 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.873 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 75' ' ' LEU . 81.7 mt-10 -59.89 -42.4 93.71 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD11 HG13 ' B' ' 70' ' ' VAL . 78.8 mt -68.52 -37.54 80.12 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.65 -45.22 94.99 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.8 mt -60.84 -43.14 98.68 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -62.04 -43.57 98.55 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 178.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 HD12 ' B' ' 80' ' ' LEU . 37.6 mt -63.36 -42.93 98.93 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -42.99 89.7 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' NH1' ' OE1' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -58.99 -56.37 23.11 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -57.94 -41.15 82.16 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.395 -0.816 . . . . 0.0 108.893 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -62.0 -42.54 99.26 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' C ' HE21 ' A' ' 86' ' ' GLN . . . -57.24 -46.85 82.6 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 176.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -65.56 -47.86 74.38 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.265 -0.897 . . . . 0.0 108.781 179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.524 ' ND2' HD22 ' B' ' 80' ' ' LEU . 16.2 m-80 -52.89 -49.88 64.99 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.469 -0.769 . . . . 0.0 108.991 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -56.38 -52.98 62.6 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.426 HE21 ' C ' ' A' ' 82' ' ' ALA . 25.6 mt-30 -58.69 -41.35 86.03 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-O 121.407 0.622 . . . . 0.0 110.143 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 24.3 mt -70.94 -50.96 28.97 Favored 'General case' 0 C--N 1.287 -2.127 0 O-C-N 121.068 -1.02 . . . . 0.0 109.657 -178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -45.49 86.02 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 121.296 -0.877 . . . . 0.0 109.272 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -58.05 -49.13 77.94 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.027 -1.069 . . . . 0.0 108.346 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 93' ' ' LEU . 3.4 mt-10 -62.53 -48.73 78.24 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.273 -0.892 . . . . 0.0 109.365 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -51.72 -49.87 61.65 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 95' ' ' ARG . 5.3 mm-40 -60.21 -40.02 88.65 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 121.573 -0.704 . . . . 0.0 110.298 176.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 44.7 mt -58.51 -34.24 70.72 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -85.48 -30.43 23.49 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 118.311 -1.356 . . . . 0.0 110.212 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 5.0 mtp85 -76.92 -50.64 12.82 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.239 -0.913 . . . . 0.0 109.723 -177.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HB2' HE22 ' A' ' 97' ' ' GLN . 14.1 mt-30 -56.36 -43.21 78.94 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 2.1 mp0 -71.2 11.29 0.45 Allowed 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 96' ' ' GLN . 2.7 mt-10 60.53 -164.46 0.23 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.627 -0.67 . . . . 0.0 112.197 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 55.21 42.99 30.02 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 -176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -169.69 -54.1 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 4.9 Cg_exo -35.75 143.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 123.86 3.04 . . . . 0.0 113.354 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 103' ' ' SER . 41.7 mt 63.92 -72.65 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 6.0 m -171.96 116.6 0.37 Allowed 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 37.95 -99.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.495 ' CD2' ' N ' ' A' ' 106' ' ' GLY . 36.1 p90 -167.23 -56.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 175.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.495 ' N ' ' CD2' ' A' ' 105' ' ' PHE . . . 59.61 60.76 8.16 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.182 -2.466 0 O-C-N 121.472 -1.016 . . . . 0.0 108.792 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 1 N-CA-C 102.425 -4.27 . . . . 0.0 102.425 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . -76.99 -24.03 52.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.061 -1.258 . . . . 0.0 108.638 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.2 mmt -63.57 79.37 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.665 -0.647 . . . . 0.0 109.717 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 2' ' ' ALA . . . -103.38 -179.29 3.91 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.44 123.06 1.73 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 107.907 -2.077 . . . . 0.0 107.907 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' B' ' 7' ' ' GLY . 17.5 t70 -100.17 -152.24 0.42 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.41 -1.053 . . . . 0.0 108.413 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.55 ' H ' ' CG ' ' B' ' 6' ' ' ASP . . . 165.85 55.1 0.03 OUTLIER Glycine 0 C--N 1.293 -1.829 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 6.3 m -103.64 28.55 6.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.299 -1.118 . . . . 0.0 109.917 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' CD ' ' H ' ' B' ' 9' ' ' GLU . 15.1 mp0 -70.78 65.52 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.049 -1.032 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -56.76 136.1 55.29 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.491 0.662 . . . . 0.0 110.005 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -67.55 170.29 7.86 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-O 121.419 0.628 . . . . 0.0 109.579 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -87.66 157.81 19.0 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -73.91 -167.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.664 -0.648 . . . . 0.0 111.186 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 30.0 t0 49.08 62.18 2.74 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 122.022 0.915 . . . . 0.0 110.179 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' HE1' HD13 ' B' ' 11' ' ' LEU . 1.0 OUTLIER -72.71 52.6 0.3 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -74.4 -98.38 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' SER . 3.5 mt-10 28.06 45.66 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 O-C-N 121.48 -0.762 . . . . 0.0 112.42 175.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 16' ' ' SER . 0.3 OUTLIER -139.53 38.15 2.04 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 176.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 33' ' ' GLN . 1.5 m-85 -94.5 167.53 11.44 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.767 -1.208 . . . . 0.0 109.972 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -142.26 35.05 1.51 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -81.76 107.28 14.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.604 ' O ' ' N ' ' B' ' 24' ' ' THR . 37.5 m-85 -90.25 175.15 7.23 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 67.44 -57.84 0.43 Allowed 'General case' 0 N--CA 1.518 2.962 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 1.066 HG22 HE22 ' B' ' 28' ' ' GLN . 6.1 m -47.87 -17.44 0.11 Allowed 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 125.782 1.633 . . . . 0.0 110.194 172.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 29' ' ' ASN . 13.8 mt-10 -33.58 -60.05 0.37 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 122.037 -0.414 . . . . 0.0 111.23 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.18 -41.31 5.66 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.475 -0.765 . . . . 0.0 110.271 -179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 HG23 ' B' ' 24' ' ' THR . 36.4 mt -62.6 -45.84 91.02 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.916 -1.115 . . . . 0.0 108.257 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 1.066 HE22 HG22 ' B' ' 24' ' ' THR . 1.4 mp0 -69.4 -34.27 74.26 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 120.82 -1.175 . . . . 0.0 109.401 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' B' ' 25' ' ' GLU . 84.5 m-20 -77.71 -4.92 48.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.672 -173.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.528 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mtm -89.06 161.13 16.72 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -88.4 134.27 33.88 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.742 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.0 OUTLIER -37.24 -43.11 0.5 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.484 0.659 . . . . 0.0 110.269 -175.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.57 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 26.0 mp0 -58.54 -38.81 78.55 Favored 'General case' 0 C--N 1.274 -2.686 0 O-C-N 121.895 -0.503 . . . . 0.0 111.106 -177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.76 -44.04 67.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.334 -0.854 . . . . 0.0 109.038 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' B' ' 32' ' ' LYS . 2.5 mt -58.11 -44.8 87.91 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.809 HG21 HE22 ' A' ' 28' ' ' GLN . 82.2 mt -55.99 -47.63 79.84 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.281 -0.887 . . . . 0.0 109.848 177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -55.6 -52.16 64.7 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.58 -32.23 73.8 Favored 'General case' 0 C--O 1.194 -1.86 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.503 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.7 m-85 -51.89 -47.26 64.63 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.93 -1.106 . . . . 0.0 110.113 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.93 -36.03 80.17 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.336 -0.946 . . . . 0.0 109.349 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.02 -60.85 2.1 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.436 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.462 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.26 -55.35 7.31 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 123.54 0.736 . . . . 0.0 109.509 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.3 OUTLIER -56.72 -53.15 61.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.415 -0.803 . . . . 0.0 108.979 -179.009 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.79 -39.22 73.71 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.743 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.2 m -60.66 -61.19 2.77 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.757 HD11 ' SD ' ' A' ' 49' ' ' MET . 19.9 tp -57.07 -34.67 68.51 Favored 'General case' 0 C--O 1.189 -2.11 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.966 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -67.05 -54.75 18.64 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.093 -1.004 . . . . 0.0 108.921 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 48' ' ' ARG . 0.1 OUTLIER -55.64 -39.26 70.64 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.008 -1.058 . . . . 0.0 108.413 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.801 ' SD ' HD11 ' A' ' 46' ' ' LEU . 82.2 mtp -76.02 -21.67 56.6 Favored 'General case' 0 C--O 1.171 -3.057 0 O-C-N 121.435 -0.791 . . . . 0.0 109.661 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -43.19 74.13 Favored 'General case' 0 C--N 1.288 -2.107 0 O-C-N 120.481 -1.387 . . . . 0.0 108.269 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.401 ' CG ' HH12 ' B' ' 48' ' ' ARG . 4.6 m-20 -56.95 -62.2 1.91 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 14.9 mt-10 -64.22 -39.21 93.5 Favored 'General case' 0 C--O 1.181 -2.54 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.202 -177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.603 HD21 ' ND2' ' A' ' 53' ' ' ASN . 1.5 m-80 -56.16 -46.88 79.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.102 -0.999 . . . . 0.0 108.89 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -53.21 -64.63 0.76 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 56' ' ' LEU . 1.5 mmm-85 -57.28 -63.58 1.18 Allowed 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 55' ' ' ARG . 16.8 mt -34.16 -61.27 0.37 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.292 0.568 . . . . 0.0 111.383 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG2' HD11 ' A' ' 56' ' ' LEU . 4.7 mtm180 -59.7 -29.54 68.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.313 -176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 55' ' ' ARG . 24.6 mt -81.45 -51.52 8.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.99 -57.81 8.38 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.483 ' HA ' HD12 ' B' ' 63' ' ' LEU . 3.3 p -47.57 -38.03 13.51 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.358 -177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -74.97 -31.22 61.4 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.81 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -96.96 20.12 11.66 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 14.2 mt -111.03 166.8 10.75 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -140.58 -124.15 2.05 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.81 52.05 0.01 OUTLIER Glycine 0 N--CA 1.508 3.48 0 N-CA-C 106.932 -2.467 . . . . 0.0 106.932 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -113.8 -5.0 13.28 Favored 'General case' 0 C--N 1.277 -2.564 0 O-C-N 122.162 -0.611 . . . . 0.0 110.153 -171.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 11.7 t70 -43.1 -36.05 1.53 Allowed 'General case' 0 N--CA 1.516 2.83 0 CA-C-O 121.522 0.677 . . . . 0.0 111.157 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.46 -38.46 59.65 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 66' ' ' ASP . 11.3 tpp180 -62.48 -44.76 95.6 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.559 HG13 HD11 ' A' ' 73' ' ' LEU . 61.3 t -51.02 -53.94 12.4 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.53 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' B' ' 67' ' ' ASP . 22.5 ttm-85 -56.22 -44.51 79.62 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.853 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' B' ' 75' ' ' LEU . 24.3 mt-10 -59.18 -43.43 92.19 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 70' ' ' VAL . 84.8 mt -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.346 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.81 -46.6 88.7 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 72' ' ' GLU . 6.3 mt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.403 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.5 tp10 -61.85 -42.8 99.49 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 80' ' ' LEU . 36.3 mt -63.97 -44.38 92.93 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.518 -0.739 . . . . 0.0 109.081 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -36.14 79.79 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.113 -1.035 . . . . 0.0 108.85 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -62.0 -56.19 21.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.524 HD22 ' ND2' ' A' ' 84' ' ' ASN . 12.5 mt -59.0 -40.52 85.14 Favored 'General case' 0 C--O 1.2 -1.543 0 O-C-N 121.501 -0.749 . . . . 0.0 109.02 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -62.8 -41.94 99.5 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.96 -49.07 74.57 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -46.65 83.54 Favored 'General case' 0 C--O 1.192 -1.94 0 O-C-N 121.345 -0.847 . . . . 0.0 108.991 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.515 HD21 ' ND2' ' A' ' 84' ' ' ASN . 8.4 m-80 -53.96 -50.45 66.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.406 -0.809 . . . . 0.0 109.155 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.445 ' O ' HD12 ' B' ' 85' ' ' LEU . 2.1 tp -57.07 -53.56 56.67 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -58.77 -49.54 77.28 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-O 121.367 0.603 . . . . 0.0 109.766 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 30.6 mt -61.09 -52.54 64.5 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.57 -0.707 . . . . 0.0 109.901 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -48.67 75.29 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.444 -0.785 . . . . 0.0 109.0 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -43.04 81.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.532 -1.267 . . . . 0.0 108.521 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -64.56 -46.0 84.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.88 -1.138 . . . . 0.0 109.139 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -56.23 -49.69 73.4 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.453 ' HA ' ' HB2' ' B' ' 95' ' ' ARG . 4.9 mm-40 -57.77 -41.74 82.64 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.656 -0.652 . . . . 0.0 110.231 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.501 ' O ' ' NE2' ' B' ' 97' ' ' GLN . 31.7 mt -58.14 -32.56 68.29 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 4.0 t-80 -85.87 -29.88 23.35 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.604 -1.238 . . . . 0.0 109.963 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.562 ' HA ' ' HD3' ' B' ' 101' ' ' PRO . 3.9 mtp85 -78.41 -52.06 9.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.461 ' HB2' HE22 ' B' ' 97' ' ' GLN . 9.6 mt-30 -56.6 -34.82 67.57 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 93' ' ' LEU . 2.0 mp0 -78.72 9.93 3.72 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.22 -167.21 0.14 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.598 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 60.36 37.88 19.88 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' B' ' 101' ' ' PRO . . . -165.85 -57.14 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.778 -0.576 . . . . 0.0 109.578 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.562 ' HD3' ' HA ' ' B' ' 95' ' ' ARG . 4.3 Cg_exo -33.08 140.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 123.642 2.895 . . . . 0.0 113.304 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 24.7 mt 65.67 -72.42 0.07 Allowed 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 101' ' ' PRO . 1.9 m -171.25 117.32 0.44 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 39.36 -95.88 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.818 0 CA-C-O 120.994 0.426 . . . . 0.0 110.232 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 41.2 p90 -172.5 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 176.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . 52.66 74.02 0.34 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.193 -1.89 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 1 N-CA-C 102.98 -4.048 . . . . 0.0 102.98 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.53 106.61 9.9 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.343 -1.093 . . . . 0.0 108.718 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.5 tpt -150.93 161.76 42.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.828 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.04 158.41 43.0 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.29 74.72 0.6 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' CB ' ' H ' ' B' ' 6' ' ' ASP . 5.8 t0 -85.11 -162.93 0.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.607 -0.937 . . . . 0.0 108.481 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.75 161.01 21.06 Favored Glycine 0 C--N 1.285 -2.293 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.57 179.61 8.06 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.292 -1.123 . . . . 0.0 108.628 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.49 85.5 0.18 Allowed 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -80.56 171.78 14.61 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.62 118.97 23.69 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' H ' ' CD ' ' A' ' 12' ' ' GLN . 20.8 mp0 -62.83 -50.78 69.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.358 -0.839 . . . . 0.0 108.949 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 52.34 27.73 5.1 Favored 'General case' 0 N--CA 1.513 2.696 0 CA-C-O 122.196 0.998 . . . . 0.0 108.828 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -78.92 61.77 3.21 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -65.79 162.7 18.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.5 OUTLIER -156.16 80.63 0.99 Allowed 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.97 135.31 52.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -163.65 166.73 22.01 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -125.41 139.05 53.99 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -135.87 -140.79 0.17 Allowed 'General case' 0 C--N 1.266 -3.024 0 N-CA-C 104.287 -2.486 . . . . 0.0 104.287 177.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -74.11 -171.78 1.22 Allowed 'General case' 0 C--N 1.252 -3.655 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 171.212 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.27 71.28 0.18 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.4 t-80 -106.59 167.58 9.75 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.28 1.038 . . . . 0.0 111.51 -171.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.53 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -62.42 -51.67 66.61 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.119 -176.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -33.73 -78.6 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.828 -0.545 . . . . 0.0 110.667 -171.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.54 -35.52 1.1 Allowed 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.763 -1.211 . . . . 0.0 110.818 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' THR . 86.1 mt -70.25 -31.29 68.61 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.453 -1.404 . . . . 0.0 109.451 176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.91 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.3 OUTLIER -75.97 -26.62 56.97 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 16' ' ' SER . 16.0 m-80 -77.41 -7.81 56.72 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.351 -177.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.553 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 4.3 mtm -89.89 161.37 15.97 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.63 153.69 20.91 Favored 'General case' 0 C--N 1.28 -2.415 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 28' ' ' GLN . 18.7 ttpt -57.4 -41.02 79.51 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.496 -0.752 . . . . 0.0 109.123 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -54.18 -48.58 70.79 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.65 -63.0 1.46 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 mt -44.46 -36.55 2.97 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.894 HD13 ' NE2' ' B' ' 28' ' ' GLN . 32.0 mt -73.81 -50.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 O-C-N 121.113 -0.992 . . . . 0.0 109.147 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -51.74 -46.61 64.1 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.201 -0.937 . . . . 0.0 109.071 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.6 pt-20 -64.59 -30.5 71.53 Favored 'General case' 0 C--O 1.202 -1.423 0 C-N-CA 118.655 -1.218 . . . . 0.0 110.389 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -59.47 -42.47 92.14 Favored 'General case' 0 CA--C 1.477 -1.859 0 O-C-N 120.789 -1.194 . . . . 0.0 110.963 173.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 4.4 mt -58.69 -46.83 86.38 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.31 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.85 -60.21 2.86 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.209 -0.932 . . . . 0.0 109.546 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -47.39 -52.24 17.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -58.1 -52.33 65.98 Favored 'General case' 0 C--O 1.194 -1.838 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 2.5 mmmp? -56.18 -35.96 67.82 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.637 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' N ' HH21 ' A' ' 48' ' ' ARG . 71.6 m -67.02 -61.87 1.71 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.04 -1.037 . . . . 0.0 109.141 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.23 -42.33 86.07 Favored 'General case' 0 C--O 1.184 -2.395 0 O-C-N 121.319 -0.863 . . . . 0.0 109.969 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 m -58.36 -46.33 86.5 Favored 'General case' 0 C--N 1.28 -2.433 0 O-C-N 121.325 -0.859 . . . . 0.0 108.836 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.465 HH21 ' N ' ' A' ' 45' ' ' CYS . 76.7 mtm180 -63.38 -46.76 84.97 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.586 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 8.2 mmm -63.7 -21.15 66.25 Favored 'General case' 0 C--O 1.171 -3.035 0 O-C-N 121.614 -0.679 . . . . 0.0 109.684 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -74.02 -48.64 28.69 Favored 'General case' 0 C--N 1.284 -2.244 0 O-C-N 120.738 -1.226 . . . . 0.0 108.12 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.2 -51.45 64.37 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.35 -46.97 65.74 Favored 'General case' 0 C--O 1.184 -2.37 0 C-N-CA 120.071 -0.651 . . . . 0.0 109.662 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.691 HD21 HD21 ' B' ' 53' ' ' ASN . 4.7 m-80 -54.02 -41.43 67.99 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -51.71 -57.35 9.48 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' LEU . 49.3 mmm-85 -65.16 -65.26 0.7 Allowed 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.07 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' B' ' 57' ' ' ARG . 14.1 mt -34.92 -59.27 0.49 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 123.344 0.657 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' B' ' 56' ' ' LEU . 1.6 mmm180 -56.99 -42.34 80.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD23 ' HE3' ' A' ' 61' ' ' LYS . 63.4 mt -73.53 -41.87 62.46 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.204 -0.935 . . . . 0.0 109.337 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.37 -59.63 2.87 Favored 'General case' 0 C--N 1.272 -2.782 0 CA-C-O 121.498 0.665 . . . . 0.0 110.019 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 p -45.14 -54.02 7.35 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.566 -0.709 . . . . 0.0 110.853 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HE3' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -54.75 -17.19 3.17 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.42 -0.8 . . . . 0.0 109.091 -178.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -102.48 40.25 1.39 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.308 -0.87 . . . . 0.0 108.85 179.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.679 ' HA ' HD23 ' B' ' 63' ' ' LEU . 0.7 OUTLIER -71.24 55.33 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -131.55 -61.65 0.09 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 107.678 -2.169 . . . . 0.0 107.678 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 34.76 -86.58 0.01 OUTLIER Glycine 0 N--CA 1.515 3.943 0 O-C-N 122.103 -0.645 . . . . 0.0 111.868 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 69' ' ' ARG . 3.6 m-20 -57.73 -8.78 1.0 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.683 -0.893 . . . . 0.0 110.052 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -26.61 6.14 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 174.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.79 -33.97 52.37 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.3 tpt85 -66.07 -46.89 76.12 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' B' ' 70' ' ' VAL . 48.5 t -51.39 -57.66 2.92 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -56.44 -42.17 77.66 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 75' ' ' LEU . 6.1 mt-10 -61.02 -39.62 90.44 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 ' NH1' ' A' ' 69' ' ' ARG . 63.5 mt -70.15 -39.63 75.25 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' CD ' HH22 ' B' ' 69' ' ' ARG . 1.1 mm-40 -62.09 -40.39 95.67 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 72' ' ' GLU . 12.9 mt -66.53 -44.02 83.61 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' CD ' HH11 ' A' ' 79' ' ' ARG . 30.0 tp10 -62.36 -38.0 87.84 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.391 -0.818 . . . . 0.0 108.843 178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 HD22 ' B' ' 73' ' ' LEU . 24.5 mt -64.37 -43.28 95.0 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 120.843 -1.161 . . . . 0.0 107.925 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 13.2 m-20 -65.27 -35.37 80.81 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.0 ttt180 -58.85 -52.45 65.66 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 175.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 16.7 mt -63.21 -37.33 86.8 Favored 'General case' 0 C--O 1.193 -1.921 0 O-C-N 121.32 -0.862 . . . . 0.0 108.829 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 78' ' ' ASP . 59.5 mtt180 -63.73 -34.62 78.28 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -63.33 -52.89 59.98 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.4 73.82 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.558 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 25.8 m-80 -50.84 -46.55 60.17 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -53.25 60.44 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -51.41 -44.62 62.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.618 -0.676 . . . . 0.0 109.626 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' B' ' 88' ' ' LEU . 13.6 mt -74.97 -47.71 28.01 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.752 -0.592 . . . . 0.0 110.287 -175.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.2 OUTLIER -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -46.09 91.72 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.292 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -64.78 -47.9 76.45 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.709 -1.244 . . . . 0.0 109.793 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.6 -46.41 87.07 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.437 ' HB3' ' NE2' ' A' ' 96' ' ' GLN . 13.1 mm-40 -61.52 -38.92 89.15 Favored 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.732 -0.605 . . . . 0.0 109.614 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 ' HA ' ' NE2' ' A' ' 97' ' ' GLN . 6.4 mt -59.47 -46.17 89.53 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -64.41 -36.02 82.81 Favored 'General case' 0 C--N 1.275 -2.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.097 178.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.421 ' NE ' ' OE2' ' A' ' 92' ' ' GLU . 9.4 mtp85 -84.01 -41.37 17.32 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.347 0.594 . . . . 0.0 111.094 -175.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.453 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 13.7 mt-30 -68.7 -44.31 74.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.21 -0.931 . . . . 0.0 110.132 -174.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.523 ' NE2' ' HA ' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -123.34 -156.69 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' OE1' ' NZ ' ' B' ' 104' ' ' LYS . 2.8 tp10 48.66 -94.86 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.546 HH21 ' CD ' ' B' ' 98' ' ' GLU . 16.2 mmm180 -85.57 45.44 1.2 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.103 -0.998 . . . . 0.0 108.604 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.717 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -53.95 -63.65 2.46 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.717 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 10.0 Cg_endo -50.83 118.6 4.33 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.886 2.39 . . . . 0.0 111.404 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.45 -47.25 69.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.4 m -86.13 104.31 15.6 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 175.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' B' ' 98' ' ' GLU . 0.1 OUTLIER -68.54 67.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.782 -1.199 . . . . 0.0 109.764 -175.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -53.78 114.08 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.76 50.01 0.02 OUTLIER Glycine 0 C--N 1.276 -2.764 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.183 -2.42 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -173.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 1 N-CA-C 102.999 -4.04 . . . . 0.0 102.999 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.22 6.09 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt -159.52 161.27 35.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.091 -1.005 . . . . 0.0 110.028 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.95 166.88 29.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.429 ' H ' ' CG ' ' A' ' 6' ' ' ASP . . . 63.03 69.0 1.43 Allowed Glycine 0 N--CA 1.499 2.859 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.592 ' H ' ' CB ' ' A' ' 6' ' ' ASP . 5.1 t0 -81.62 -176.0 5.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.956 . . . . 0.0 108.778 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.91 165.35 43.62 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.45 178.54 7.35 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.147 -1.208 . . . . 0.0 108.297 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -68.27 77.85 0.25 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.483 ' O ' ' NE2' ' B' ' 12' ' ' GLN . 36.9 p90 -68.92 171.56 7.85 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -83.69 119.44 24.78 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' B' ' 12' ' ' GLN . 16.3 mp0 -66.12 -45.45 81.08 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.334 -0.854 . . . . 0.0 109.478 -176.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 48.62 31.02 2.74 Favored 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.45 57.49 1.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.17 164.85 4.84 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 109.358 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.38 77.39 0.55 Allowed 'General case' 0 C--N 1.28 -2.452 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.36 138.01 7.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.476 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -167.59 159.34 12.0 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -121.44 141.41 51.02 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' B' ' 25' ' ' GLU . 13.2 mm-40 -136.41 -142.88 0.18 Allowed 'General case' 0 C--N 1.27 -2.869 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.0 OUTLIER -73.29 -169.22 0.61 Allowed 'General case' 0 C--N 1.256 -3.486 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 171.226 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -67.07 63.2 0.05 Allowed 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.611 -1.625 . . . . 0.0 106.611 174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 21' ' ' ARG . 0.9 OUTLIER -100.18 172.26 7.29 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 122.288 1.042 . . . . 0.0 112.168 -171.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.573 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -68.2 -51.15 48.8 Favored 'General case' 0 C--N 1.286 -2.18 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.981 -175.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 28' ' ' GLN . 0.4 OUTLIER -33.86 -78.51 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.542 -0.723 . . . . 0.0 110.799 -173.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.23 -35.96 1.1 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.427 HD13 HG23 ' A' ' 36' ' ' ILE . 84.7 mt -69.65 -30.97 68.79 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.574 -1.329 . . . . 0.0 109.303 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.894 ' NE2' HD13 ' A' ' 36' ' ' ILE . 3.6 mm-40 -75.06 -26.41 59.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.105 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -77.22 -3.18 38.36 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.899 -1.121 . . . . 0.0 109.272 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtm -93.68 161.92 14.15 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 149.62 23.46 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 30' ' ' MET . 19.1 ttpt -54.55 -42.47 70.99 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.352 -0.843 . . . . 0.0 109.311 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -55.55 -46.2 77.16 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 3.3 mm-40 -60.2 -61.92 2.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.2 -37.28 4.42 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.91 HD13 ' NE2' ' A' ' 28' ' ' GLN . 40.4 mt -71.32 -50.95 37.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.362 -0.836 . . . . 0.0 109.29 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.09 -48.36 64.78 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.032 -1.043 . . . . 0.0 109.447 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 2.7 pt-20 -63.06 -27.92 69.73 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 118.305 -1.358 . . . . 0.0 110.366 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.534 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.73 -1.231 . . . . 0.0 110.659 173.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.44 -38.31 77.23 Favored 'General case' 0 C--N 1.282 -2.361 0 C-N-CA 118.807 -1.157 . . . . 0.0 108.384 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.92 -58.78 3.08 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.226 -0.922 . . . . 0.0 108.984 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.585 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.82 -51.11 17.27 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 0.9 OUTLIER -57.42 -50.74 72.02 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -58.1 -35.75 71.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.921 -1.112 . . . . 0.0 108.482 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.457 ' N ' HH21 ' B' ' 48' ' ' ARG . 66.5 m -68.49 -61.35 1.87 Allowed 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.03 -1.044 . . . . 0.0 108.86 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.16 -39.36 75.1 Favored 'General case' 0 C--O 1.188 -2.134 0 O-C-N 121.168 -0.958 . . . . 0.0 109.984 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.2 m -61.5 -49.19 77.74 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.119 -0.988 . . . . 0.0 109.033 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 45' ' ' CYS . 81.3 mtm180 -60.8 -42.93 98.59 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.59 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 9.1 mmm -66.81 -22.93 66.0 Favored 'General case' 0 C--O 1.167 -3.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.1 -51.36 25.56 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 120.909 -1.12 . . . . 0.0 108.591 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -54.53 39.82 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.02 -46.63 86.71 Favored 'General case' 0 C--O 1.183 -2.417 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.595 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.691 HD21 HD21 ' A' ' 53' ' ' ASN . 2.8 m-80 -58.75 -39.93 82.38 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.222 -0.923 . . . . 0.0 109.088 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -52.96 -56.2 17.75 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -63.26 -65.69 0.65 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.699 HD11 ' HD2' ' A' ' 57' ' ' ARG . 16.9 mt -35.88 -57.95 0.65 Allowed 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 123.312 0.645 . . . . 0.0 111.307 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.699 ' HD2' HD11 ' A' ' 56' ' ' LEU . 1.7 mmm180 -57.36 -43.5 83.56 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -72.11 -42.05 66.53 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.235 -0.916 . . . . 0.0 109.699 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mm-40 -69.6 -60.61 2.21 Favored 'General case' 0 C--N 1.277 -2.578 0 CA-C-O 121.372 0.606 . . . . 0.0 110.289 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -43.83 -51.53 7.35 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.655 -0.653 . . . . 0.0 110.892 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -22.09 23.16 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.223 -0.923 . . . . 0.0 108.522 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' GLY . 0.2 OUTLIER -97.71 38.5 1.28 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.524 -0.735 . . . . 0.0 109.582 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -69.59 53.45 0.11 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.889 -1.132 . . . . 0.0 107.994 176.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ARG . . . -130.03 -66.88 0.11 Allowed Glycine 0 N--CA 1.486 1.999 0 N-CA-C 106.928 -2.469 . . . . 0.0 106.928 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.27 -86.71 0.01 OUTLIER Glycine 0 N--CA 1.508 3.461 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.7 OUTLIER -59.09 -4.85 0.56 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -1.129 . . . . 0.0 110.583 178.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -26.41 6.9 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -77.16 -34.54 56.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.175 -0.953 . . . . 0.0 108.497 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' B' ' 66' ' ' ASP . 1.7 tpt85 -66.28 -47.37 73.87 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 70' ' ' VAL . 42.6 t -51.84 -59.07 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' B' ' 68' ' ' ALA . 0.4 OUTLIER -56.25 -42.57 77.59 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.6 mt-10 -61.32 -36.86 81.28 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.172 -1.011 . . . . 0.0 108.534 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 70' ' ' VAL . 68.1 mt -70.34 -41.25 73.46 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.446 -0.784 . . . . 0.0 108.912 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.503 ' CD ' HH22 ' A' ' 69' ' ' ARG . 0.8 OUTLIER -60.98 -42.36 98.22 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 177.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 72' ' ' GLU . 20.0 mt -63.97 -42.56 97.22 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' HB3' HD21 ' A' ' 77' ' ' LEU . 17.9 tp10 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 80' ' ' LEU . 28.8 mt -62.73 -43.14 99.57 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 81' ' ' ARG . 15.5 m-20 -65.28 -39.09 92.11 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -55.39 -49.25 72.82 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 16.8 mt -67.6 -37.42 82.54 Favored 'General case' 0 C--O 1.194 -1.826 0 O-C-N 121.43 -0.794 . . . . 0.0 108.885 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' B' ' 78' ' ' ASP . 61.0 mtt180 -63.65 -35.55 80.92 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.18 -51.24 64.73 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -52.21 66.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.558 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 17.9 m-80 -48.88 -45.29 40.87 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -52.97 62.39 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -37.82 64.48 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.432 -0.792 . . . . 0.0 109.539 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 17.3 mt -77.91 -48.4 16.44 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 121.353 -0.842 . . . . 0.0 110.093 -177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.82 -46.71 86.69 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -47.04 81.2 Favored 'General case' 0 C--N 1.287 -2.114 0 O-C-N 121.234 -0.917 . . . . 0.0 108.79 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.69 -50.46 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.062 -1.024 . . . . 0.0 109.97 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -54.05 -49.05 69.87 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.02 -36.63 82.15 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 121.464 -0.773 . . . . 0.0 109.962 176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.51 ' HA ' ' NE2' ' B' ' 97' ' ' GLN . 5.5 mt -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.506 ' C ' ' ND1' ' B' ' 94' ' ' HIS . 0.0 OUTLIER -63.51 -36.31 83.36 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.119 178.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -85.18 -37.18 20.45 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 111.767 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.503 ' HB2' ' NE2' ' B' ' 97' ' ' GLN . 22.1 mt-30 -71.84 -45.51 61.17 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 -174.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 1.4 pm0 -122.02 -154.57 0.6 Allowed 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.546 ' CD ' HH21 ' A' ' 99' ' ' ARG . 1.2 tp10 46.5 -97.1 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' B' ' 98' ' ' GLU . 14.8 mmm180 -82.9 47.46 1.22 Allowed 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.2 -0.938 . . . . 0.0 108.671 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.726 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -56.81 -64.46 2.47 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.726 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 8.5 Cg_endo -50.19 121.01 6.91 Favored 'Trans proline' 0 C--N 1.327 -0.587 0 C-N-CA 122.761 2.307 . . . . 0.0 110.907 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -51.81 66.1 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 105' ' ' PHE . 0.8 OUTLIER -79.91 101.27 8.48 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 175.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.473 ' NZ ' ' OE1' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -67.31 74.12 0.14 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.695 -176.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' B' ' 103' ' ' SER . 0.0 OUTLIER -63.37 87.85 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.287 -0.883 . . . . 0.0 109.517 -179.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -160.07 18.89 0.23 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 107.742 -2.143 . . . . 0.0 107.742 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 107' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.191 -2.005 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 1 N-CA-C 102.775 -4.13 . . . . 0.0 102.775 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.26 156.19 30.25 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 3' ' ' MET . 3.6 mpp? -74.68 166.58 23.34 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.62 172.05 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.402 -0.811 . . . . 0.0 109.678 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.32 14.5 26.84 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.95 -172.14 0.99 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.099 -1.236 . . . . 0.0 109.041 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 125.11 2.44 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.74 111.97 22.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.303 -1.116 . . . . 0.0 109.418 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.19 115.51 21.32 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -91.79 148.67 22.06 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.541 -0.725 . . . . 0.0 109.422 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.71 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -143.31 162.46 35.65 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.9 mt-30 -107.27 138.65 43.06 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 109.1 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -94.15 62.28 3.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.45 -176.56 0.24 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.544 -0.723 . . . . 0.0 109.234 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -49.86 105.73 0.1 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.61 86.98 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 24.5 mt-10 55.26 -171.01 0.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.12 0.962 . . . . 0.0 111.412 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.67 177.27 4.9 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' ARG . 62.3 m-85 -87.51 -177.76 5.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 20' ' ' GLU . 2.3 pm0 -66.35 50.65 0.04 OUTLIER 'General case' 0 C--N 1.282 -2.329 0 O-C-N 121.754 -0.592 . . . . 0.0 110.839 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' TYR . 22.7 mmt180 -58.91 118.73 6.1 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -34.17 141.21 0.05 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 122.944 0.498 . . . . 0.0 111.164 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m170 70.57 -56.7 0.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.716 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.2 m -65.18 -40.69 94.61 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.28 -0.888 . . . . 0.0 109.022 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -36.46 -65.41 0.28 Allowed 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 176.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -49.41 -41.83 40.84 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.807 -0.558 . . . . 0.0 110.096 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' HG23 ' B' ' 36' ' ' ILE . 16.6 mt -61.52 -47.24 86.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 108.695 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.716 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -75.26 -23.47 57.47 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 118.303 -1.359 . . . . 0.0 110.141 179.358 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.4 m-80 -85.74 -2.1 57.87 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.24 152.41 23.34 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.47 142.26 27.86 Favored 'General case' 0 C--N 1.271 -2.825 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.719 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -44.15 -47.82 9.1 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.508 -0.745 . . . . 0.0 110.938 -174.17 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -55.2 -39.46 69.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.311 -0.868 . . . . 0.0 110.129 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 15.5 mt-10 -62.72 -64.46 0.91 Allowed 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 mt -48.08 -40.41 23.16 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 121.623 0.725 . . . . 0.0 109.935 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 32' ' ' LYS . 76.5 mt -70.52 -51.61 36.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -57.33 -44.3 84.09 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.479 -0.763 . . . . 0.0 109.9 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 2.4 pt-20 -65.37 -28.85 69.57 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.783 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -61.31 -41.19 96.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.881 -1.137 . . . . 0.0 111.087 173.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 4.7 mt -60.85 -40.06 91.48 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 118.584 -1.247 . . . . 0.0 108.095 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.62 -59.93 2.55 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 118.77 -1.172 . . . . 0.0 108.692 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -50.56 -53.58 29.27 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.364 0.602 . . . . 0.0 109.6 -176.029 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.13 -54.33 41.1 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.502 -0.749 . . . . 0.0 109.321 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 5.5 mptp? -60.18 -36.7 78.18 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.237 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.5 m -59.26 -61.66 2.46 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 tp -52.97 -32.51 46.56 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 m -65.31 -54.42 29.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 108.982 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -57.67 -37.95 74.3 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 36.6 mmm -72.59 -18.17 61.63 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.719 -0.613 . . . . 0.0 109.361 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -78.96 -51.41 9.67 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.605 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.2 m-20 -53.59 -45.38 69.99 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.679 ' CG ' HH21 ' B' ' 57' ' ' ARG . 31.1 mm-40 -68.17 -56.65 7.99 Favored 'General case' 0 C--O 1.194 -1.84 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' HD21 ' B' ' 53' ' ' ASN . 5.7 m-80 -44.63 -47.8 10.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.509 -0.745 . . . . 0.0 109.615 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.8 -61.34 2.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.584 0.707 . . . . 0.0 109.386 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.605 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -61.1 -63.79 1.17 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -178.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . 27.0 mt -34.74 -57.78 0.52 Allowed 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 123.226 0.611 . . . . 0.0 111.055 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.622 HH21 ' CG ' ' B' ' 52' ' ' GLU . 5.8 mmt85 -53.34 -42.87 67.2 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.55 -59.23 2.86 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.76 -38.25 9.77 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.304 -0.872 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 p -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.256 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 63' ' ' LEU . 16.6 mttp -87.35 -45.91 10.14 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.322 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -60.83 17.86 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.796 -0.565 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' B' ' 66' ' ' ASP . 10.6 mt -124.93 104.63 8.69 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 172.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -100.09 149.76 18.81 Favored Glycine 0 N--CA 1.493 2.455 0 O-C-N 120.901 -1.125 . . . . 0.0 111.071 -174.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 66' ' ' ASP . . . 63.76 -90.16 0.08 OUTLIER Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.769 ' HB2' HD23 ' B' ' 63' ' ' LEU . 3.0 t70 133.39 161.92 0.0 OUTLIER 'General case' 0 N--CA 1.529 3.498 0 C-N-CA 124.913 1.285 . . . . 0.0 108.701 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 10.1 t70 -52.69 -13.34 0.39 Allowed 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 123.214 0.606 . . . . 0.0 110.502 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.65 15.87 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.791 -1.193 . . . . 0.0 107.944 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.546 HH21 ' CD ' ' A' ' 72' ' ' GLU . 2.2 tpm_? -59.92 -41.37 91.57 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.27 -55.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -56.34 -37.05 69.46 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 121.934 -0.479 . . . . 0.0 109.951 -179.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 mt-10 -59.17 -48.23 82.38 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.003 -1.06 . . . . 0.0 108.172 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.84 -36.39 83.33 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.7 -46.74 86.64 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' GLU . 9.7 mt -61.24 -46.41 90.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.339 -0.851 . . . . 0.0 108.977 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.49 -41.88 95.18 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' HG ' ' B' ' 77' ' ' LEU . 17.6 mt -60.36 -51.45 69.45 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.523 ' HA ' ' HD3' ' A' ' 81' ' ' ARG . 77.3 m-20 -59.52 -34.1 72.2 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -61.07 -52.22 65.87 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 176.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' B' ' 84' ' ' ASN . 13.5 mt -60.2 -38.12 82.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.492 -0.755 . . . . 0.0 109.24 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HD3' ' HA ' ' A' ' 78' ' ' ASP . 28.7 mtp180 -62.26 -34.5 76.66 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.75 -50.23 74.64 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 4.4 mt-10 -65.14 -50.12 67.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.492 ' ND2' HD21 ' B' ' 84' ' ' ASN . 11.5 m-80 -49.43 -48.74 47.16 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.93 -52.91 62.47 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -49.6 70.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.633 -0.667 . . . . 0.0 109.467 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 6.4 mt -70.03 -49.6 49.66 Favored 'General case' 0 C--N 1.28 -2.435 0 O-C-N 121.513 -0.742 . . . . 0.0 110.365 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -46.94 79.82 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.112 -0.993 . . . . 0.0 109.221 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -42.31 74.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.842 -1.161 . . . . 0.0 108.089 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.48 -30.47 70.18 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.04 -47.49 74.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' HE21 ' A' ' 96' ' ' GLN . 3.6 mm-40 -54.72 -47.32 73.9 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 174.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.51 ' HA ' HE22 ' A' ' 97' ' ' GLN . 68.7 mt -58.75 -58.97 6.25 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.468 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.465 ' NE2' ' OE2' ' B' ' 98' ' ' GLU . 0.3 OUTLIER -50.25 -40.15 47.0 Favored 'General case' 0 C--N 1.259 -3.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.902 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -43.88 31.67 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.446 ' HB2' ' NE2' ' A' ' 97' ' ' GLN . 33.0 mt-30 -71.27 -53.14 15.32 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.51 HE22 ' HA ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.59 122.7 1.73 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.8 tm-20 -69.24 -165.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 43.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.387 -0.821 . . . . 0.0 109.429 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -66.76 -60.37 6.48 Favored Pre-proline 0 C--N 1.301 -1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.281 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.627 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 10.5 Cg_endo -52.04 47.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 124.025 3.15 . . . . 0.0 113.751 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 100' ' ' ALA . 9.5 mt -139.56 138.88 36.64 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 -46.45 38.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -119.81 77.75 1.26 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.813 -0.554 . . . . 0.0 109.522 -178.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 106' ' ' GLY . 26.8 t80 -63.89 171.12 2.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 105' ' ' PHE . . . -87.95 60.54 4.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.506 2.364 0 O-C-N 121.593 -0.946 . . . . 0.0 109.405 178.645 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.886 1 N-CA-C 102.45 -4.26 . . . . 0.0 102.45 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.35 161.84 41.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' B' ' 3' ' ' MET . 3.9 mpp? -73.67 161.83 29.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 155.62 8.47 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.63 -0.669 . . . . 0.0 109.497 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.95 17.73 75.69 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 177.1 7.86 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.017 -1.284 . . . . 0.0 108.858 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.93 134.37 2.11 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.14 112.16 17.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.522 -0.987 . . . . 0.0 108.895 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -83.15 125.11 31.17 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -100.26 146.18 27.21 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.731 HD22 ' N ' ' B' ' 12' ' ' GLN . 0.0 OUTLIER -138.81 173.48 11.53 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.412 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.731 ' N ' HD22 ' B' ' 11' ' ' LEU . 13.7 mt-30 -116.52 136.57 52.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.144 -0.973 . . . . 0.0 109.673 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -96.97 60.74 1.75 Allowed 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -165.3 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.641 -0.662 . . . . 0.0 110.367 -176.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -56.12 99.57 0.03 OUTLIER 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.486 -0.759 . . . . 0.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.92 91.87 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.486 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 mt-10 55.28 -173.24 0.05 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.747 0.784 . . . . 0.0 111.475 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.72 174.04 6.04 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' B' ' 21' ' ' ARG . 60.5 m-85 -83.3 -179.54 7.41 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.445 -0.902 . . . . 0.0 108.597 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' B' ' 20' ' ' GLU . 2.1 pm0 -64.92 52.34 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.379 0.609 . . . . 0.0 110.867 -177.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' B' ' 19' ' ' TYR . 22.7 mmt180 -59.94 119.25 7.38 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -33.98 139.07 0.07 Allowed 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.231 0.538 . . . . 0.0 110.921 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 m80 70.47 -53.98 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.66 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -63.84 -41.2 97.88 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -36.98 -65.76 0.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 43.4 m -48.46 -41.13 28.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.898 -0.501 . . . . 0.0 109.707 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' HB3' HG23 ' A' ' 36' ' ' ILE . 20.9 mt -63.42 -46.62 85.54 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.235 -0.916 . . . . 0.0 108.983 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.696 ' NE2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.85 -23.25 55.69 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.227 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -86.39 -1.01 57.17 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.651 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.32 154.55 21.82 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.11 140.7 29.22 Favored 'General case' 0 C--N 1.279 -2.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -42.71 -48.34 5.55 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.797 -0.564 . . . . 0.0 110.534 -175.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.85 -39.06 62.24 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.431 -0.793 . . . . 0.0 109.931 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 12.9 mt-10 -65.69 -65.06 0.72 Allowed 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -46.58 -39.1 10.49 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.621 0.724 . . . . 0.0 109.326 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' B' ' 32' ' ' LYS . 71.7 mt -69.84 -52.86 27.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.031 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -56.38 -47.08 79.67 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.499 -0.751 . . . . 0.0 109.956 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.477 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 3.2 pt-20 -61.53 -28.36 69.26 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 118.174 -1.41 . . . . 0.0 109.957 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.593 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -63.24 -41.44 99.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.0 111.304 174.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 5.8 mt -60.43 -39.9 89.15 Favored 'General case' 0 C--N 1.28 -2.429 0 C-N-CA 118.804 -1.158 . . . . 0.0 108.571 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.42 -59.65 2.63 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -48.25 -53.89 15.55 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.309 0.576 . . . . 0.0 109.578 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -53.66 -54.49 37.08 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -36.23 78.73 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 119.129 -1.028 . . . . 0.0 110.134 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.31 -61.42 2.64 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.62 -33.7 55.95 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.509 -0.744 . . . . 0.0 109.135 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 6.4 m -63.69 -52.36 60.96 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.102 -0.999 . . . . 0.0 108.84 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -58.52 -46.1 87.48 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.411 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.4 mmm -63.23 -20.34 65.35 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.874 -0.516 . . . . 0.0 110.003 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.9 -49.52 12.71 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.62 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.0 OUTLIER -54.24 -48.43 71.12 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.622 ' CG ' HH21 ' A' ' 57' ' ' ARG . 26.5 mm-40 -64.8 -57.58 8.52 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.527 HD21 ' ND2' ' A' ' 53' ' ' ASN . 10.5 m-80 -46.42 -45.45 18.04 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -56.9 -60.88 2.93 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.594 0.712 . . . . 0.0 109.434 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.62 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.3 OUTLIER -62.11 -63.98 1.08 Allowed 'General case' 0 C--O 1.198 -1.632 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 -178.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 30.0 mt -34.56 -57.52 0.51 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.102 0.477 . . . . 0.0 110.953 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.679 HH21 ' CG ' ' A' ' 52' ' ' GLU . 10.8 mmt85 -53.47 -42.51 67.31 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.975 -0.453 . . . . 0.0 109.825 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.01 -58.12 3.43 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -48.75 -37.75 19.78 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 109.808 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -66.14 -30.53 71.04 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.461 -0.895 . . . . 0.0 110.196 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' B' ' 63' ' ' LEU . 16.1 mttp -85.68 -43.81 13.1 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 118.865 -1.134 . . . . 0.0 108.524 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -62.66 19.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.866 -0.521 . . . . 0.0 111.012 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 66' ' ' ASP . 9.6 mt -124.46 108.76 12.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 172.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -101.36 143.45 16.12 Favored Glycine 0 N--CA 1.491 2.31 0 O-C-N 121.079 -1.013 . . . . 0.0 111.846 -174.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' B' ' 66' ' ' ASP . . . 66.57 -89.18 0.14 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 176.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.686 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.4 t70 134.44 162.32 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 124.277 1.031 . . . . 0.0 108.748 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' B' ' 66' ' ' ASP . 3.6 t70 -50.15 -16.78 0.34 Allowed 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.735 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.66 -49.17 19.18 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.61 HH21 ' CD ' ' B' ' 72' ' ' GLU . 2.4 tpm_? -59.43 -41.23 89.1 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -56.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.452 ' HB2' ' NH1' ' B' ' 71' ' ' ARG . 0.0 OUTLIER -55.29 -37.95 67.99 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.194 -179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' B' ' 75' ' ' LEU . 41.5 mt-10 -59.49 -42.18 91.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.068 -1.02 . . . . 0.0 108.658 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.421 HD22 HD12 ' A' ' 77' ' ' LEU . 53.3 mt -72.58 -36.0 68.08 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -58.71 -42.92 89.78 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.6 mt -64.53 -53.6 45.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -51.53 -43.86 62.44 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 mt -59.28 -53.81 53.99 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 7.9 m-20 -59.55 -31.28 69.27 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.405 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 0.1 OUTLIER -63.68 -52.89 58.64 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 176.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 80' ' ' LEU . 13.1 mt -59.08 -38.01 78.47 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' B' ' 78' ' ' ASP . 24.6 mtp180 -61.66 -37.89 85.73 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -56.53 -47.53 79.21 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.14 -49.02 66.31 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.492 HD21 ' ND2' ' A' ' 84' ' ' ASN . 11.3 m-80 -51.03 -48.89 61.38 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.48 -55.51 32.84 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -50.63 63.58 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.527 0.68 . . . . 0.0 109.575 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.7 mt -68.41 -50.69 51.02 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.313 -0.867 . . . . 0.0 110.397 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -46.86 83.07 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 109.45 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -44.0 75.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.44 -32.27 73.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.068 -1.02 . . . . 0.0 108.463 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -63.04 -47.92 80.95 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.49 ' C ' HE21 ' B' ' 96' ' ' GLN . 4.6 mm-40 -55.51 -47.83 75.61 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.497 ' HA ' HE22 ' B' ' 97' ' ' GLN . 82.6 mt -58.79 -58.33 9.09 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.401 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -50.76 -38.3 47.02 Favored 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.978 179.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -48.24 19.82 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.49 HE21 ' C ' ' B' ' 92' ' ' GLU . 20.6 mt-30 -70.77 -45.36 64.87 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.497 HE22 ' HA ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -171.62 120.16 0.47 Allowed 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.015 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' B' ' 100' ' ' ALA . 2.0 tm-20 -68.26 -167.34 0.08 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 43.67 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.077 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.621 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -65.47 -60.64 7.2 Favored Pre-proline 0 C--N 1.303 -1.427 0 O-C-N 121.002 -1.061 . . . . 0.0 108.968 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 10.6 Cg_endo -52.4 48.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 123.767 2.978 . . . . 0.0 113.614 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.597 ' N ' ' O ' ' B' ' 100' ' ' ALA . 7.0 mt -143.9 122.87 12.78 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -42.71 97.06 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-O 121.34 0.59 . . . . 0.0 109.738 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.481 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.5 OUTLIER -119.63 75.52 1.08 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.336 -0.853 . . . . 0.0 109.434 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' B' ' 106' ' ' GLY . 29.7 t80 -63.4 169.56 3.64 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.575 ' N ' ' CG ' ' B' ' 105' ' ' PHE . . . -88.49 64.68 3.46 Favored Glycine 0 C--N 1.287 -2.155 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.671 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.229 1 N-CA-C 102.923 -4.071 . . . . 0.0 102.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.48 95.05 2.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -65.07 -44.7 88.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.646 -0.659 . . . . 0.0 110.13 -177.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' ASP . . . 64.34 -57.44 0.24 Allowed 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' MET . . . -73.2 54.87 1.88 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 4' ' ' ALA . 5.9 m-20 -86.8 9.21 19.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.359 -1.083 . . . . 0.0 109.144 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -72.82 56.96 1.75 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.7 38.59 0.05 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -1.184 . . . . 0.0 110.09 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.8 mt-10 -55.27 149.06 13.39 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -86.27 152.27 22.92 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -115.82 137.3 52.23 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.05 -63.63 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.55 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' CE2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER 52.72 30.17 8.49 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -178.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -86.23 15.91 4.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' C ' ' HG1' ' A' ' 18' ' ' THR . 5.0 m-85 -46.56 -30.16 2.13 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.174 -0.954 . . . . 0.0 109.649 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PHE . 0.5 OUTLIER 17.01 -100.25 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' H ' ' HB2' ' A' ' 16' ' ' SER . 14.1 mm-40 -71.66 39.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.666 -1.272 . . . . 0.0 111.708 -176.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.543 ' HG1' ' C ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -75.38 53.47 0.67 Allowed 'General case' 0 C--N 1.286 -2.185 0 O-C-N 120.746 -1.221 . . . . 0.0 107.993 176.266 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 21' ' ' ARG . 54.2 m-85 -81.97 170.43 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.29 36.44 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.21 -0.931 . . . . 0.0 111.067 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -121.18 57.59 0.99 Allowed 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 173.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' HIS . 89.3 m-85 -38.25 -32.75 0.07 Allowed 'General case' 0 C--N 1.266 -3.062 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.866 -173.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' TYR . 86.1 m-70 -47.42 -37.38 11.38 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.57 HG22 ' NE2' ' A' ' 28' ' ' GLN . 1.4 m -56.52 -37.77 70.92 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ASN . 51.8 mt-10 -46.96 -62.37 1.44 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 175.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.13 -42.77 14.26 Favored 'General case' 0 C--N 1.287 -2.119 0 O-C-N 121.778 -0.576 . . . . 0.0 109.6 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LEU . 15.9 mt -61.44 -47.88 83.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.13 -0.981 . . . . 0.0 108.56 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.776 HE22 HG21 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -75.43 -26.78 58.61 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.254 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLU . 59.5 m-20 -78.52 -3.75 45.19 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.061 -1.025 . . . . 0.0 109.374 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.9 mtm -90.17 159.79 16.57 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.098 -1.001 . . . . 0.0 109.075 178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.08 143.6 26.98 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 35' ' ' LEU . 5.7 tttt -49.34 -43.29 43.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.439 -0.788 . . . . 0.0 110.395 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.03 -41.21 78.19 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.178 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.47 -50.73 71.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.6 mt -58.3 -49.44 77.15 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.617 1.199 . . . . 0.0 108.784 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.765 HG21 HE22 ' B' ' 28' ' ' GLN . 55.9 mt -56.81 -46.91 83.54 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -59.09 -52.09 67.22 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.398 -0.814 . . . . 0.0 110.213 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.93 -27.25 68.04 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 117.844 -1.543 . . . . 0.0 110.55 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.8 m-85 -56.24 -44.88 80.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.0 -1.062 . . . . 0.0 108.979 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -61.73 -37.96 86.16 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.779 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -70.58 -61.54 1.73 Allowed 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.774 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' B' ' 42' ' ' LEU . 1.9 tp -56.19 -46.6 79.33 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.67 -0.644 . . . . 0.0 109.85 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.73 -48.09 80.58 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -60.24 -46.11 90.9 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.71 -61.18 2.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' B' ' 49' ' ' MET . 23.5 tp -56.65 -36.3 69.36 Favored 'General case' 0 C--O 1.189 -2.114 0 O-C-N 121.473 -0.767 . . . . 0.0 109.126 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 46.5 m -61.57 -50.87 70.87 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.127 -0.983 . . . . 0.0 109.375 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -61.36 -51.82 67.21 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 177.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.723 ' SD ' HD11 ' B' ' 46' ' ' LEU . 82.7 mtp -61.85 -14.31 32.38 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.782 -0.574 . . . . 0.0 110.438 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' SER . 13.9 mt-10 -77.77 -54.04 6.81 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 175.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -48.91 73.46 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 176.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 20.9 mt-10 -58.41 -56.21 25.0 Favored 'General case' 0 C--O 1.185 -2.301 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.624 HD21 ' ND2' ' B' ' 53' ' ' ASN . 10.2 m-80 -46.1 -45.07 16.09 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.068 -1.02 . . . . 0.0 110.495 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -61.25 -54.71 40.59 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.59 -64.34 0.9 Allowed 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' B' ' 57' ' ' ARG . 15.6 mt -35.48 -52.68 0.66 Allowed 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 123.545 0.738 . . . . 0.0 110.958 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 1.1 mmp_? -59.94 -55.92 28.14 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.1 mt -57.41 -55.99 27.64 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.5 mt-10 -51.31 -49.43 61.32 Favored 'General case' 0 C--N 1.28 -2.456 0 O-C-N 121.782 -0.574 . . . . 0.0 109.8 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 t -61.84 -56.72 16.41 Favored 'General case' 0 C--N 1.284 -2.256 0 O-C-N 121.901 -0.5 . . . . 0.0 110.228 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -63.2 -34.06 76.84 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.212 -1.555 . . . . 0.0 108.968 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.8 mtp-105 -79.19 21.14 0.47 Allowed 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.763 ' CB ' HD13 ' B' ' 63' ' ' LEU . 12.7 mt -130.11 161.94 29.94 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' O ' HD21 ' B' ' 63' ' ' LEU . . . -149.03 -100.19 0.22 Allowed Glycine 1 N--CA 1.517 4.067 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.634 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.45 134.67 16.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 104.921 -3.272 . . . . 0.0 104.921 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASP . 9.8 p-10 -75.85 171.66 14.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 118.4 1.1 . . . . 0.0 110.116 -174.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' ALA . 0.7 OUTLIER -40.06 -60.57 1.01 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.037 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' ASP . . . -36.15 -40.71 0.23 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.526 -0.734 . . . . 0.0 109.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -53.31 44.32 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 70' ' ' VAL . 12.1 t -54.19 -60.47 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 122.045 0.926 . . . . 0.0 108.953 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.608 HH21 ' CD ' ' A' ' 74' ' ' GLU . 2.2 tpm_? -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.425 -175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.17 -42.44 98.57 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.069 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 77' ' ' LEU . 36.6 mt -66.69 -39.69 88.21 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.608 ' CD ' HH21 ' A' ' 71' ' ' ARG . 43.5 mt-10 -59.42 -51.39 70.1 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 120.952 -1.093 . . . . 0.0 108.193 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.84 -39.75 82.19 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' HB3' HD21 ' B' ' 77' ' ' LEU . 1.0 OUTLIER -62.17 -48.04 81.81 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 176.58 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD23 HD12 ' B' ' 80' ' ' LEU . 29.6 mt -59.79 -39.18 84.06 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -59.41 -42.6 92.15 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.89 -54.12 43.64 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' B' ' 80' ' ' LEU . 11.8 mt -56.66 -44.16 81.07 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.613 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -61.41 -38.86 88.63 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.12 90.11 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.9 -49.97 70.56 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.404 HD21 ' ND2' ' B' ' 84' ' ' ASN . 12.2 m-80 -52.03 -48.75 64.4 Favored 'General case' 0 C--O 1.19 -2.028 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -55.4 -57.3 12.44 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.463 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 14.5 mm100 -52.95 -46.53 68.22 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-O 121.442 0.639 . . . . 0.0 110.511 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 4.5 mt -75.86 -55.23 5.83 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.995 -1.066 . . . . 0.0 110.501 -176.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.7 -51.93 67.53 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.254 -0.904 . . . . 0.0 108.788 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -53.29 -43.35 67.46 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.637 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -37.0 84.0 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 4.8 t-20 -57.42 -49.27 76.78 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -58.86 -46.6 87.36 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' C ' HE21 ' A' ' 97' ' ' GLN . 78.1 mt -58.62 -28.65 65.84 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.221 -0.924 . . . . 0.0 109.131 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -84.63 -44.97 12.97 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.695 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.469 ' NE ' ' OD1' ' A' ' 91' ' ' ASN . 6.6 mtt180 -66.48 -56.36 11.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.806 0.813 . . . . 0.0 110.224 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HB2' HE22 ' A' ' 97' ' ' GLN . 27.3 mt-30 -52.72 -26.92 15.5 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.446 -0.784 . . . . 0.0 109.117 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.543 HE22 ' HB2' ' A' ' 96' ' ' GLN . 2.8 mp0 -92.76 13.83 19.05 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.689 -0.632 . . . . 0.0 109.701 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -72.06 162.13 29.9 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.977 -1.077 . . . . 0.0 108.352 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 43.56 35.64 1.02 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.827 -0.545 . . . . 0.0 109.696 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.701 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -116.2 -65.49 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 109.588 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.701 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 9.7 Cg_endo -49.98 45.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.131 3.221 . . . . 0.0 114.667 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 100' ' ' ALA . 4.6 mm? -101.21 52.13 0.84 Allowed 'General case' 0 C--N 1.279 -2.487 0 O-C-N 121.007 -1.058 . . . . 0.0 108.742 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -63.0 1.14 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.82 -1.175 . . . . 0.0 108.488 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.45 114.63 26.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.73 91.7 2.41 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.38 -139.34 0.91 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 N--CA 1.5 2.068 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 1 N-CA-C 102.771 -4.131 . . . . 0.0 102.771 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.94 101.04 4.08 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.537 ' O ' ' N ' ' B' ' 5' ' ' GLY . 1.5 mmm -69.86 -49.95 47.34 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.74 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' B' ' 6' ' ' ASP . . . 64.69 -53.91 0.29 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' B' ' 3' ' ' MET . . . -73.9 40.88 1.02 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' B' ' 8' ' ' SER . 7.4 m-20 -73.03 2.73 6.44 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.602 -0.94 . . . . 0.0 111.164 -176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' GLU . . . -66.38 55.36 0.19 Allowed Glycine 0 N--CA 1.497 2.762 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.531 ' N ' ' O ' ' B' ' 6' ' ' ASP . 0.7 OUTLIER -71.93 43.44 0.1 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.992 -1.299 . . . . 0.0 109.176 178.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' GLY . 4.9 mt-10 -62.84 155.83 25.81 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -93.92 144.4 25.48 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.522 ' N ' HD12 ' B' ' 11' ' ' LEU . 6.1 mp -111.84 126.23 54.86 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -51.68 -66.89 0.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.027 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 55.39 32.81 19.57 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.04 11.08 12.43 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.002 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.515 ' C ' ' HG1' ' B' ' 18' ' ' THR . 5.9 m-85 -41.74 -35.93 0.89 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.45 ' C ' ' O ' ' B' ' 15' ' ' PHE . 0.8 OUTLIER 21.05 -103.45 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.431 ' H ' ' HB2' ' B' ' 16' ' ' SER . 21.4 mm-40 -66.24 39.76 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.969 -1.082 . . . . 0.0 111.606 -176.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.515 ' HG1' ' C ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -74.13 51.54 0.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.737 -1.227 . . . . 0.0 108.212 176.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.495 ' C ' ' H ' ' B' ' 21' ' ' ARG . 55.4 m-85 -81.19 175.39 10.67 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.01 32.06 0.07 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.657 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -114.67 61.1 0.68 Allowed 'General case' 0 C--N 1.281 -2.384 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 174.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -40.82 -31.06 0.14 Allowed 'General case' 0 C--N 1.259 -3.342 0 CA-C-N 113.161 -1.836 . . . . 0.0 111.696 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -47.87 -38.53 16.42 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.581 HG22 ' NE2' ' B' ' 28' ' ' GLN . 1.1 m -57.3 -38.96 74.81 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.532 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 24' ' ' THR . 13.0 mt-10 -47.07 -61.95 1.64 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -42.06 11.43 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.482 ' HA ' ' SD ' ' B' ' 30' ' ' MET . 18.5 mt -63.08 -47.27 83.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.441 -0.787 . . . . 0.0 109.006 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.765 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -75.14 -25.12 58.15 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.022 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -78.05 -1.22 31.21 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.485 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.513 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 25.6 mtp -94.31 156.93 16.27 Favored 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.156 -0.965 . . . . 0.0 108.863 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.06 134.34 33.77 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.739 ' HA ' HD12 ' B' ' 35' ' ' LEU . 5.2 tttt -38.82 -44.54 1.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 O-C-N 122.02 -0.425 . . . . 0.0 111.386 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.57 -38.8 82.13 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.23 -50.47 71.64 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' B' ' 32' ' ' LYS . 5.8 mt -57.1 -50.46 72.71 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 122.653 1.216 . . . . 0.0 108.804 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.776 HG21 HE22 ' A' ' 28' ' ' GLN . 65.6 mt -55.21 -48.38 76.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 O-C-N 121.285 -0.885 . . . . 0.0 108.639 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -58.31 -50.56 73.17 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.384 -0.822 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.49 -26.57 66.42 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.447 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.471 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.5 m-85 -55.76 -44.24 77.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.888 -1.132 . . . . 0.0 109.101 173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.85 -42.82 99.5 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.69 -61.76 1.89 Allowed 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.971 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 42' ' ' LEU . 2.1 tp -56.28 -46.14 79.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.889 -0.507 . . . . 0.0 109.968 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.92 -50.18 74.24 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -59.21 -43.49 92.27 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.31 -0.868 . . . . 0.0 108.756 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -57.73 -61.43 2.52 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.723 HD11 ' SD ' ' A' ' 49' ' ' MET . 23.9 tp -56.48 -36.32 68.98 Favored 'General case' 0 C--O 1.185 -2.327 0 O-C-N 121.609 -0.682 . . . . 0.0 109.808 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.3 m -63.93 -51.94 62.1 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.17 -0.956 . . . . 0.0 109.374 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.559 ' CZ ' ' HB3' ' B' ' 48' ' ' ARG . 0.7 OUTLIER -57.24 -48.73 78.09 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 176.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 46' ' ' LEU . 80.4 mtp -66.88 -13.46 61.7 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.753 -0.592 . . . . 0.0 110.19 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.9 -49.94 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.36 -47.97 83.39 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.34 -55.35 32.68 Favored 'General case' 0 C--O 1.187 -2.219 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.624 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.2 m-80 -45.55 -45.5 13.5 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.232 -0.918 . . . . 0.0 110.054 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -58.94 -55.76 30.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -62.34 -63.36 1.26 Allowed 'General case' 0 C--O 1.196 -1.745 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD21 ' CZ ' ' A' ' 57' ' ' ARG . 16.9 mt -36.52 -53.66 0.87 Allowed 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 123.492 0.717 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.517 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -60.47 -48.79 80.22 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.296 -178.201 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.2 -58.75 5.67 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 63' ' ' LEU . 1.2 mm-40 -49.15 -52.35 26.81 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 121.832 0.825 . . . . 0.0 109.185 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 29.3 t -59.41 -53.34 59.24 Favored 'General case' 0 C--N 1.283 -2.311 0 O-C-N 121.93 -0.481 . . . . 0.0 110.27 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -69.41 -35.54 75.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.506 -1.677 . . . . 0.0 108.904 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.95 28.83 0.09 Allowed 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.361 -0.837 . . . . 0.0 109.207 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.763 HD13 ' CB ' ' A' ' 63' ' ' LEU . 12.5 mt -134.39 165.73 24.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.468 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -151.6 -97.32 0.16 Allowed Glycine 1 N--CA 1.516 4.005 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.2 151.98 39.35 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 104.831 -3.308 . . . . 0.0 104.831 173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' B' ' 69' ' ' ARG . 15.0 p-10 -89.96 172.34 8.93 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 119.196 1.498 . . . . 0.0 109.84 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.0 -15.63 2.18 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.327 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' B' ' 69' ' ' ARG . . . -75.91 -33.86 59.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -49.08 61.09 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 177.067 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.23 -60.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.913 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.583 HH21 ' CD ' ' B' ' 74' ' ' GLU . 2.2 tpm_? -56.22 -40.45 74.08 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.64 -175.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.09 -41.94 98.7 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.5 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.5 -38.53 87.45 Favored 'General case' 0 C--N 1.297 -1.687 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.202 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.583 ' CD ' HH21 ' B' ' 71' ' ' ARG . 44.5 mt-10 -61.16 -50.08 74.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.7 -39.81 85.81 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -46.48 89.16 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 80' ' ' LEU . 27.1 mt -58.6 -42.33 87.88 Favored 'General case' 0 C--O 1.199 -1.575 0 O-C-N 121.52 -0.737 . . . . 0.0 109.128 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -55.99 -49.76 72.73 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.438 -0.789 . . . . 0.0 108.949 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -56.99 -53.89 52.88 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . 8.0 mt -56.91 -44.24 82.19 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.557 -0.714 . . . . 0.0 109.543 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 -62.56 -37.44 86.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.02 67.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -57.98 -49.99 74.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.404 ' ND2' HD21 ' A' ' 84' ' ' ASN . 9.9 m-80 -51.36 -49.08 62.17 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.52 ' HG ' ' N ' ' B' ' 86' ' ' GLN . 0.3 OUTLIER -56.18 -57.72 10.99 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.52 ' N ' ' HG ' ' B' ' 85' ' ' LEU . 9.3 mm100 -51.83 -45.25 63.91 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.37 0.605 . . . . 0.0 110.323 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 5.7 mt -77.14 -56.62 4.42 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 121.423 -0.798 . . . . 0.0 110.737 -176.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -49.73 74.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.313 -0.867 . . . . 0.0 108.931 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.6 OUTLIER -55.9 -45.1 78.75 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -37.14 85.08 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.055 -1.028 . . . . 0.0 109.228 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.504 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 7.5 t-20 -59.84 -47.72 84.59 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.411 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 24.6 mt-10 -59.15 -45.88 89.82 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.427 ' O ' ' NE2' ' B' ' 97' ' ' GLN . 84.2 mt -58.83 -29.56 67.0 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.447 -0.783 . . . . 0.0 109.237 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -83.64 -44.09 14.92 Favored 'General case' 0 C--N 1.285 -2.201 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.789 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.504 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 4.8 mtt180 -66.61 -57.24 7.62 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.867 0.842 . . . . 0.0 110.257 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.475 ' HB2' HE22 ' B' ' 97' ' ' GLN . 24.1 mt-30 -53.72 -29.04 37.56 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.198 -0.939 . . . . 0.0 108.862 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.475 HE22 ' HB2' ' B' ' 96' ' ' GLN . 2.6 mp0 -90.11 14.23 12.96 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.37 158.92 29.85 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.831 -1.168 . . . . 0.0 107.973 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 47.66 36.98 6.1 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.675 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -114.59 -67.35 0.03 OUTLIER Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.417 -0.802 . . . . 0.0 110.432 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.675 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 9.8 Cg_endo -48.5 39.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.514 2.708 0 C-N-CA 124.496 3.464 . . . . 0.0 115.7 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' B' ' 100' ' ' ALA . 4.5 mm? -91.1 52.92 2.23 Favored 'General case' 0 C--N 1.273 -2.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.367 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -62.58 1.37 Allowed 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -95.78 112.76 24.41 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.18 91.5 0.71 Allowed 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.449 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.16 -134.82 2.8 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.5 2.033 0 CA-C-N 117.831 0.816 . . . . 0.0 109.499 178.797 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 1 N-CA-C 102.975 -4.05 . . . . 0.0 102.975 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' MET . . . 52.62 55.75 8.61 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.717 -0.872 . . . . 0.0 108.686 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' ALA . 71.1 mtp -41.95 -58.91 1.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 6' ' ' ASP . . . -100.12 111.08 23.36 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.76 71.55 0.27 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 107.238 -2.345 . . . . 0.0 107.238 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' ALA . 9.8 t70 -42.44 112.99 0.4 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 122.049 -0.677 . . . . 0.0 110.431 -175.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 -7.9 88.08 Favored Glycine 0 C--N 1.287 -2.184 0 N-CA-C 107.111 -2.396 . . . . 0.0 107.111 175.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 -174.57 0.13 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -108.6 119.08 38.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.293 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -78.8 175.15 10.75 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.446 0.641 . . . . 0.0 109.465 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -128.28 166.47 18.55 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.414 HE22 ' CB ' ' B' ' 31' ' ' SER . 0.1 OUTLIER -53.81 126.23 21.43 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.247 -0.981 . . . . 0.0 108.392 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.69 18.56 21.71 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.558 -0.714 . . . . 0.0 109.774 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' SER . 12.8 p-10 -78.73 50.46 0.99 Allowed 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -61.76 65.65 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 121.934 0.873 . . . . 0.0 109.146 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -91.56 53.43 2.26 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' HE2' ' B' ' 37' ' ' LYS . 3.5 mm-40 -63.17 90.53 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.617 -0.677 . . . . 0.0 109.669 -175.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 p -72.55 58.37 0.42 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.634 -0.666 . . . . 0.0 109.221 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.7 157.15 28.98 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 120.925 -1.109 . . . . 0.0 108.97 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 37.9 mt-10 -132.68 81.47 1.95 Allowed 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 121.685 0.755 . . . . 0.0 109.026 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.535 ' HA ' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -142.88 113.63 7.51 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.168 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' THR . 2.8 m-85 -46.86 -52.65 13.86 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.415 -0.914 . . . . 0.0 108.763 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t60 -36.98 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 122.747 0.419 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.587 HG22 ' NE2' ' A' ' 28' ' ' GLN . 2.5 m -47.76 -30.79 4.18 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.25 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -53.41 -66.31 0.41 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.44 -0.787 . . . . 0.0 109.386 173.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -45.47 -39.44 7.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -178.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 26.0 mt -65.25 -44.61 87.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 121.285 -0.884 . . . . 0.0 109.652 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.901 ' NE2' HD13 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -72.51 -24.69 61.19 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 117.213 -1.795 . . . . 0.0 108.537 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -78.71 -6.26 55.35 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.223 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.497 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 2.1 mtm -87.42 150.99 23.43 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.51 ' CB ' HE22 ' B' ' 12' ' ' GLN . 0.7 OUTLIER -89.07 145.2 25.61 Favored 'General case' 0 C--N 1.274 -2.704 0 O-C-N 121.394 -0.816 . . . . 0.0 108.878 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -51.51 -42.93 62.08 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.373 -0.829 . . . . 0.0 110.03 -177.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -55.57 -31.41 62.16 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -81.34 -55.41 4.73 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' LYS . 7.9 mt -47.47 -53.09 15.17 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.641 1.21 . . . . 0.0 108.387 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.9 HG21 HE22 ' B' ' 28' ' ' GLN . 37.2 mt -55.48 -48.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 O-C-N 121.313 -0.867 . . . . 0.0 109.884 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.536 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -58.32 -47.43 83.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.89 -1.131 . . . . 0.0 110.518 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.13 -31.99 72.82 Favored 'General case' 0 C--O 1.196 -1.761 0 C-N-CA 117.597 -1.641 . . . . 0.0 109.059 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 7.7 m-85 -54.75 -47.61 73.65 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.905 -1.122 . . . . 0.0 109.502 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' ILE . 4.9 mt -58.27 -43.09 87.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.084 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -70.39 -59.65 2.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.347 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.78 -54.18 10.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.45 -53.9 50.48 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -43.39 67.84 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.0 m -59.88 -61.99 2.2 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 16.0 tp -54.9 -37.4 66.3 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.136 -0.978 . . . . 0.0 109.317 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -59.38 -53.96 52.15 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.429 -0.794 . . . . 0.0 108.928 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 52' ' ' GLU . 2.2 mmm-85 -58.82 -49.23 78.51 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 33.7 mmm -59.2 -21.63 59.77 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.209 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.83 -52.05 10.21 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 -51.3 68.71 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 48' ' ' ARG . 0.1 OUTLIER -60.36 -54.83 40.93 Favored 'General case' 0 C--O 1.185 -2.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.6 HD21 ' ND2' ' B' ' 53' ' ' ASN . 14.1 m-80 -49.04 -43.57 40.84 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.022 -1.049 . . . . 0.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -56.54 -58.37 8.34 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -63.55 -63.43 1.18 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.05 HD21 ' HE ' ' B' ' 57' ' ' ARG . 15.9 mt -36.23 -51.51 0.77 Allowed 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 122.988 0.515 . . . . 0.0 111.112 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.98 ' HE ' HD21 ' B' ' 56' ' ' LEU . 2.1 mmp_? -64.12 -47.72 78.85 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.384 -0.822 . . . . 0.0 109.963 -177.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.0 mt -62.95 -48.13 80.2 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.02 -64.76 0.83 Allowed 'General case' 0 C--N 1.279 -2.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.236 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' NH2' ' A' ' 57' ' ' ARG . 14.0 p -45.17 -50.73 11.19 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.716 -0.615 . . . . 0.0 111.133 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -32.98 68.28 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 118.983 -1.087 . . . . 0.0 109.744 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 -89.71 17.34 6.64 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 20.6 mt -120.92 165.75 14.78 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.571 -0.706 . . . . 0.0 109.237 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' B' ' 64' ' ' GLY . . . -147.63 -156.29 6.95 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 107.389 -2.284 . . . . 0.0 107.389 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.9 96.09 0.15 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 108.056 -2.018 . . . . 0.0 108.056 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -169.12 -1.1 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 8.6 p-10 -47.54 -37.79 12.87 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.484 -0.76 . . . . 0.0 110.419 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.92 65.0 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -59.77 -43.94 94.11 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' B' ' 66' ' ' ASP . 80.5 t -49.93 -55.85 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 8.3 ttm180 -54.99 -45.1 74.99 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.96 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 75' ' ' LEU . 13.9 mt-10 -59.32 -42.42 91.38 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' B' ' 70' ' ' VAL . 78.9 mt -67.44 -37.95 83.79 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.188 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.57 -44.77 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.119 -0.988 . . . . 0.0 108.516 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.0 mt -60.39 -43.0 97.06 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' CD ' HH22 ' A' ' 79' ' ' ARG . 31.6 tp10 -59.86 -48.41 81.79 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' CD1' HD22 ' B' ' 73' ' ' LEU . 22.1 mt -55.19 -49.79 71.02 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.16 -35.17 76.39 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.77 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.495 HH22 ' CD ' ' A' ' 76' ' ' GLU . 2.4 ttp85 -62.59 -53.12 59.41 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 80' ' ' LEU . 9.7 mt -55.37 -43.35 75.02 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.73 -34.39 74.34 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -62.08 -40.58 96.31 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -70.54 -51.76 26.41 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.493 ' ND2' HD21 ' B' ' 84' ' ' ASN . 17.2 m-80 -48.35 -51.46 26.2 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD23 HE22 ' A' ' 86' ' ' GLN . 3.9 tp -55.35 -56.41 20.4 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.407 HE22 HD23 ' A' ' 85' ' ' LEU . 1.7 mp0 -56.32 -39.56 72.98 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 10.0 mt -78.1 -51.15 10.72 Favored 'General case' 0 C--N 1.288 -2.109 0 O-C-N 121.042 -1.036 . . . . 0.0 109.712 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -58.15 -51.2 70.73 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.093 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -39.34 79.25 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.319 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.56 -43.75 92.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.939 -1.1 . . . . 0.0 108.847 176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' OD1' ' NH1' ' A' ' 95' ' ' ARG . 5.7 t-20 -58.27 -47.72 82.72 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.09 -42.12 89.71 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.394 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD23 ' NE2' ' A' ' 97' ' ' GLN . 18.2 mt -61.42 -26.02 67.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.805 -1.184 . . . . 0.0 107.805 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.646 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -85.73 -24.55 26.89 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.148 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.528 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 4.3 mmp_? -86.31 -40.11 15.82 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.198 -0.939 . . . . 0.0 111.279 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -85.29 -48.24 9.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -168.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 16.6 mp0 -62.28 -152.72 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.703 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 27.3 mt-10 -53.3 -109.83 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.786 0 O-C-N 121.049 -1.032 . . . . 0.0 112.562 -173.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' NH1' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -70.79 78.6 0.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 94' ' ' HIS . . . -142.34 -62.3 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.659 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -173.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.642 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 4.7 Cg_exo -40.22 144.69 0.38 Allowed 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 123.494 2.796 . . . . 0.0 111.533 176.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.0 mt 59.59 -152.02 0.4 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -169.7 -165.84 0.53 Allowed 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.96 42.03 30.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.605 -0.685 . . . . 0.0 109.653 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.58 -40.31 82.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 105.547 -2.019 . . . . 0.0 105.547 176.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.07 -175.08 20.81 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 106.278 -2.729 . . . . 0.0 106.278 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.178 -2.701 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 1 N-CA-C 102.92 -4.072 . . . . 0.0 102.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.92 57.78 6.17 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.315 -1.109 . . . . 0.0 109.761 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 65.0 mtp -44.23 -48.13 9.34 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 6' ' ' ASP . . . -109.89 112.23 24.13 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.72 67.84 1.03 Allowed Glycine 0 C--N 1.287 -2.164 0 N-CA-C 107.134 -2.387 . . . . 0.0 107.134 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' B' ' 8' ' ' SER . 1.6 t70 -45.1 123.7 4.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.939 -0.742 . . . . 0.0 109.715 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 2.49 79.36 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 107.39 -2.284 . . . . 0.0 107.39 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' B' ' 6' ' ' ASP . 3.5 m 55.76 -170.25 0.08 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -113.35 107.6 16.09 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.818 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -66.01 176.36 1.7 Allowed 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.772 0.796 . . . . 0.0 109.995 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.04 165.37 22.34 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.51 HE22 ' CB ' ' A' ' 31' ' ' SER . 1.1 mp0 -46.19 138.04 5.67 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.44 ' HE ' ' HB3' ' B' ' 13' ' ' ARG . 23.5 mtp180 -117.99 22.38 12.28 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.466 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 16' ' ' SER . 17.7 p-10 -88.17 57.8 4.46 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -69.56 52.71 0.11 Allowed 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 121.739 0.781 . . . . 0.0 108.975 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.443 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.6 OUTLIER -76.99 60.18 1.77 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.731 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.515 ' OE1' ' NZ ' ' A' ' 37' ' ' LYS . 3.9 mm-40 -66.91 89.94 0.17 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.011 -1.056 . . . . 0.0 109.257 -175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -69.24 59.4 0.11 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.637 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.416 ' CD2' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -162.88 160.95 25.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.385 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.481 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 24.4 mt-10 -135.43 83.67 2.04 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -142.62 114.96 8.42 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.443 ' O ' ' CG ' ' B' ' 25' ' ' GLU . 2.7 m-85 -49.48 -52.86 26.5 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 120.851 -1.156 . . . . 0.0 108.569 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.426 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 2.0 t60 -36.65 -29.85 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 122.699 0.399 . . . . 0.0 111.262 178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.625 HG22 ' NE2' ' B' ' 28' ' ' GLN . 2.2 m -47.66 -30.91 4.09 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.461 ' CG ' ' H ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -51.29 -67.05 0.28 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 172.681 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.461 ' H ' ' CG ' ' B' ' 25' ' ' GLU . 0.0 OUTLIER -46.02 -39.16 8.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' B' ' 24' ' ' THR . 32.3 mt -65.26 -44.96 86.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.309 -0.87 . . . . 0.0 109.271 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.9 HE22 HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -73.15 -25.04 60.66 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.426 -1.71 . . . . 0.0 108.573 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 25' ' ' GLU . 6.8 m-80 -79.55 -5.27 54.55 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.412 -177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.458 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 1.5 mtm -88.1 150.75 23.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.414 ' CB ' HE22 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -89.42 146.55 24.58 Favored 'General case' 0 C--N 1.273 -2.742 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -51.64 -42.44 62.06 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.434 -0.791 . . . . 0.0 110.479 -176.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.568 ' H ' ' CD ' ' B' ' 33' ' ' GLN . 0.0 OUTLIER -54.49 -34.38 61.51 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.3 -57.15 3.85 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 32' ' ' LYS . 7.0 mt -46.4 -50.24 16.88 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 122.779 1.276 . . . . 0.0 108.949 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.901 HD13 ' NE2' ' A' ' 28' ' ' GLN . 32.7 mt -58.28 -47.65 87.01 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -58.85 -46.45 87.69 Favored 'General case' 0 C--N 1.286 -2.184 0 O-C-N 121.043 -1.035 . . . . 0.0 110.154 179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -67.57 -29.04 68.31 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 117.745 -1.582 . . . . 0.0 108.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.503 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 7.9 m-85 -60.2 -47.54 85.54 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.293 -0.879 . . . . 0.0 109.828 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 36' ' ' ILE . 3.9 mt -58.59 -35.59 72.65 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.949 -176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -76.56 -60.64 2.26 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.41 -54.85 10.22 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.44 -54.32 45.29 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -39.04 67.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.134 -0.979 . . . . 0.0 109.128 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 60.7 m -64.69 -61.09 2.4 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.31 -38.66 66.21 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.117 -0.99 . . . . 0.0 109.323 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.3 m -57.24 -55.77 30.41 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.981 -1.074 . . . . 0.0 108.39 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.437 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 37.5 mmm -57.84 -20.75 38.47 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.807 -0.558 . . . . 0.0 110.306 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.0 mt-10 -78.34 -47.27 18.08 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.97 -53.66 55.95 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -53.07 62.54 Favored 'General case' 0 C--O 1.185 -2.337 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.6 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.1 m-80 -49.26 -45.84 45.35 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.834 -1.166 . . . . 0.0 110.41 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -56.09 -59.43 4.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.421 0.629 . . . . 0.0 109.881 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -62.33 -61.68 2.28 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.98 HD21 ' HE ' ' A' ' 57' ' ' ARG . 16.8 mt -38.84 -51.56 1.74 Allowed 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 122.724 0.41 . . . . 0.0 111.082 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 1.05 ' HE ' HD21 ' A' ' 56' ' ' LEU . 1.6 mmp_? -63.85 -50.0 70.59 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 109.819 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.06 -43.66 98.56 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.82 -67.91 0.39 Allowed 'General case' 0 C--N 1.272 -2.779 0 O-C-N 121.362 -0.836 . . . . 0.0 109.096 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.508 ' OG ' ' NH2' ' B' ' 57' ' ' ARG . 12.6 p -41.56 -51.11 4.0 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.852 -0.53 . . . . 0.0 111.533 -175.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -36.09 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.493 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -86.67 15.14 5.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.187 -0.945 . . . . 0.0 109.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.708 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 17.5 mt -116.93 171.56 7.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -159.45 -144.91 4.1 Favored Glycine 0 C--N 1.275 -2.815 0 N-CA-C 106.446 -2.661 . . . . 0.0 106.446 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.03 -139.0 3.22 Favored Glycine 0 C--N 1.275 -2.846 0 N-CA-C 105.705 -2.958 . . . . 0.0 105.705 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.66 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.2 OUTLIER 69.77 -10.47 0.6 Allowed 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 118.107 0.953 . . . . 0.0 111.743 176.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -39.23 23.71 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.934 -1.103 . . . . 0.0 110.142 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -30.76 65.98 Favored 'General case' 0 C--N 1.285 -2.214 0 O-C-N 120.729 -1.232 . . . . 0.0 108.124 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HE ' ' CG ' ' B' ' 66' ' ' ASP . 4.5 tpp180 -59.18 -44.57 92.18 Favored 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 66' ' ' ASP . 81.7 t -49.95 -56.52 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -54.79 -43.91 73.27 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.561 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.612 ' HA ' HD12 ' B' ' 75' ' ' LEU . 2.4 mt-10 -58.64 -43.44 89.75 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.277 -0.89 . . . . 0.0 108.781 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 70' ' ' VAL . 65.1 mt -69.07 -35.61 76.71 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.056 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -61.84 -42.98 99.7 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.7 mt -65.46 -46.83 78.27 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.486 ' CD ' HH22 ' B' ' 79' ' ' ARG . 31.6 tp10 -57.35 -49.7 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.51 ' CD1' HD22 ' A' ' 73' ' ' LEU . 16.0 mt -52.47 -51.4 59.55 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' B' ' 81' ' ' ARG . 11.1 m-20 -60.86 -36.44 79.19 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 119.719 -0.793 . . . . 0.0 109.493 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' B' ' 82' ' ' ALA . 3.0 ttp85 -60.05 -51.35 70.02 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' B' ' 80' ' ' LEU . 9.0 mt -56.44 -43.37 79.39 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.433 ' NH2' ' OD1' ' B' ' 78' ' ' ASP . 43.7 mtm180 -61.22 -35.18 76.51 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -59.38 -46.26 89.17 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.08 -50.86 64.5 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.493 HD21 ' ND2' ' A' ' 84' ' ' ASN . 11.8 m-80 -49.41 -51.51 34.78 Favored 'General case' 0 C--O 1.198 -1.633 0 O-C-N 121.582 -0.699 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.77 -54.88 39.07 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 82' ' ' ALA . 1.3 mp0 -56.57 -44.31 80.85 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.745 -0.597 . . . . 0.0 110.123 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.8 mt -72.74 -51.11 20.51 Favored 'General case' 0 C--N 1.286 -2.194 0 O-C-N 120.97 -1.081 . . . . 0.0 109.8 -176.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -51.75 68.58 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -42.7 73.38 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.065 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.68 -42.29 98.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.09 -1.007 . . . . 0.0 109.496 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.597 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -61.72 -46.49 89.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 40.5 mt-10 -58.97 -42.18 89.31 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 121.467 -0.771 . . . . 0.0 110.23 174.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.417 HD23 ' NE2' ' B' ' 97' ' ' GLN . 15.6 mt -60.25 -25.96 66.07 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.576 ' O ' ' HB1' ' B' ' 100' ' ' ALA . 0.2 OUTLIER -85.7 -27.04 25.56 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.597 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 2.0 mmp_? -86.25 -39.14 16.87 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.093 -1.004 . . . . 0.0 111.829 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 5.8 mt-30 -85.6 -49.29 8.13 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -169.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.609 ' N ' ' OE1' ' B' ' 97' ' ' GLN . 15.3 mp0 -58.72 -152.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -167.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.572 ' HB3' ' NH1' ' B' ' 99' ' ' ARG . 13.4 mt-10 -56.89 -103.81 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.951 0 O-C-N 120.662 -1.274 . . . . 0.0 112.367 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.572 ' NH1' ' HB3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -71.52 69.24 0.6 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.645 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -133.44 -63.01 0.02 OUTLIER Pre-proline 0 C--N 1.288 -2.088 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.362 -174.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.645 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 6.0 Cg_exo -38.43 141.27 0.31 Allowed 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 123.742 2.961 . . . . 0.0 112.01 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt 60.25 -157.33 0.33 Allowed 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 10.8 m -165.63 -175.62 3.57 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 45.98 20.33 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.587 -0.696 . . . . 0.0 109.684 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -58.57 -38.45 77.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.89 -178.6 20.04 Favored Glycine 0 C--N 1.295 -1.721 0 N-CA-C 106.105 -2.798 . . . . 0.0 106.105 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.189 -2.095 0 O-C-N 121.021 -1.282 . . . . 0.0 109.269 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 103.258 -3.937 . . . . 0.0 103.258 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.33 163.92 27.41 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.799 -1.412 . . . . 0.0 108.356 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 4' ' ' ALA . 0.4 OUTLIER -115.35 141.71 47.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' SD ' ' A' ' 3' ' ' MET . . . -146.35 142.61 28.41 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 70.81 0.01 OUTLIER Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -53.35 -55.63 23.26 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.421 -1.046 . . . . 0.0 108.943 -179.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.56 -106.42 0.22 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.601 -1.799 . . . . 0.0 108.601 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 6' ' ' ASP . 1.4 m 56.03 -148.35 0.49 Allowed 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.227 -1.161 . . . . 0.0 108.756 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.53 139.84 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -109.39 121.83 46.04 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.26 116.93 13.28 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 166.81 22.31 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -155.64 58.13 0.62 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.264 -0.898 . . . . 0.0 110.325 -178.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.99 48.2 0.09 Allowed 'General case' 0 N--CA 1.514 2.775 0 O-C-N 121.114 -0.992 . . . . 0.0 108.398 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ARG . 25.3 m-85 -88.97 175.46 7.41 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 121.032 -1.042 . . . . 0.0 109.697 -176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 18' ' ' THR . 5.2 t -172.76 86.76 0.07 Allowed 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.7 38.37 0.05 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 16' ' ' SER . 1.8 p -94.44 66.21 3.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 177.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -113.24 142.51 45.73 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.183 0.992 . . . . 0.0 111.355 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.81 51.69 0.18 Allowed 'General case' 0 C--N 1.275 -2.641 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HD2' HG21 ' A' ' 24' ' ' THR . 10.0 mmt180 -97.66 154.19 17.73 Favored 'General case' 0 C--N 1.286 -2.176 0 O-C-N 121.33 -0.856 . . . . 0.0 110.44 -170.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' THR . 30.1 m-85 -142.54 -114.61 0.11 Allowed 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.41 -9.57 1.65 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.969 -1.082 . . . . 0.0 108.096 173.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.005 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -47.06 -22.62 0.37 Allowed 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 124.001 0.921 . . . . 0.0 110.402 178.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -33.58 -62.44 0.29 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 122.226 -0.296 . . . . 0.0 110.445 -176.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -42.87 7.01 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.763 -0.586 . . . . 0.0 110.323 -176.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 33.2 mt -61.79 -45.88 91.95 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.005 -1.06 . . . . 0.0 109.195 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.005 HE22 HG22 ' A' ' 24' ' ' THR . 1.5 mp0 -68.6 -35.5 77.43 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.758 -1.214 . . . . 0.0 109.267 176.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' GLU . 4.6 m-80 -72.02 -10.06 59.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.517 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 23.6 mtp -91.14 155.24 18.77 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.42 -0.8 . . . . 0.0 109.322 -177.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -88.71 133.85 34.09 Favored 'General case' 0 C--N 1.273 -2.74 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 30' ' ' MET . 12.8 tttt -38.91 -44.02 1.02 Allowed 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.735 -0.603 . . . . 0.0 111.338 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' NH2' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -52.52 -40.46 62.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.374 -0.829 . . . . 0.0 110.121 -178.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 1.4 mt-10 -68.56 -59.83 2.86 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 32' ' ' LYS . 3.6 mt -46.86 -39.23 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.676 HD13 ' HG3' ' B' ' 28' ' ' GLN . 79.5 mt -66.81 -51.89 50.76 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -52.87 -49.17 66.37 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 112.436 177.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 117.712 -1.595 . . . . 0.0 110.578 -177.22 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.3 m-85 -64.34 -39.7 94.42 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.625 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD12 ' HE2' ' A' ' 37' ' ' LYS . 5.7 mt -62.78 -46.48 87.83 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 118.096 -1.442 . . . . 0.0 108.248 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 13.1 mm-40 -65.37 -62.51 1.49 Allowed 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.666 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -49.52 -58.53 5.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.29 0.567 . . . . 0.0 110.505 -177.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' TYR . 7.0 mt-10 -52.51 -52.18 55.82 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -45.6 86.63 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.582 -0.699 . . . . 0.0 109.194 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 63.7 m -54.22 -59.3 4.84 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 46' ' ' LEU . 21.5 tp -56.59 -35.19 67.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.346 -0.846 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -60.7 -49.88 75.73 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.006 -1.059 . . . . 0.0 108.733 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -62.61 -52.87 61.68 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 50' ' ' GLU . 29.1 mmm -58.01 -22.24 48.75 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.722 -178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HA ' ' HE1' ' B' ' 49' ' ' MET . 3.1 mm-40 -76.21 -41.85 48.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.07 -52.87 63.11 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' CD ' HH21 ' A' ' 48' ' ' ARG . 22.7 mm-40 -60.01 -53.77 53.96 Favored 'General case' 0 C--O 1.194 -1.855 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.575 HD21 ' ND2' ' B' ' 53' ' ' ASN . 14.7 m-80 -49.18 -47.36 46.0 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.631 0.729 . . . . 0.0 109.256 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -58.33 -60.18 4.17 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.573 HH12 ' CD ' ' A' ' 59' ' ' GLU . 8.4 mmm180 -61.04 -63.14 1.4 Allowed 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.413 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' B' ' 56' ' ' LEU . 31.5 mt -35.03 -68.43 0.12 Allowed 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.518 0.675 . . . . 0.0 111.615 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' ASN . 28.9 mtm-85 -50.71 -33.51 23.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.877 -0.515 . . . . 0.0 110.099 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.6 mt -77.86 -37.09 49.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' CD ' HH12 ' A' ' 55' ' ' ARG . 1.3 mm-40 -78.02 -65.9 0.91 Allowed 'General case' 0 C--N 1.268 -2.97 0 O-C-N 121.538 -0.726 . . . . 0.0 109.819 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' GLU . 1.5 m -36.01 -51.42 0.73 Allowed 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.239 0.542 . . . . 0.0 111.196 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -29.14 67.55 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.149 -0.97 . . . . 0.0 109.662 -178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.518 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -96.11 11.2 35.1 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -178.301 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' B' ' 63' ' ' LEU . 62.4 mt -120.57 137.2 54.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.819 -1.175 . . . . 0.0 108.736 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' ASP . . . -127.41 153.11 19.02 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.54 32.44 2.11 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' HB3' ' CG2' ' B' ' 70' ' ' VAL . 1.2 m-20 -75.77 -13.34 60.29 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.267 -1.137 . . . . 0.0 109.803 -175.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -42.12 -40.9 2.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.984 -0.447 . . . . 0.0 110.925 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.07 -33.42 59.56 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.087 -1.008 . . . . 0.0 108.392 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -58.42 -45.35 88.61 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 176.207 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG13 HD11 ' B' ' 73' ' ' LEU . 13.0 t -52.19 -57.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' CZ ' ' CB ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.86 -41.63 98.08 Favored 'General case' 0 C--N 1.283 -2.296 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.525 -175.251 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 75' ' ' LEU . 30.5 mt-10 -63.22 -41.51 99.14 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 118.993 -1.083 . . . . 0.0 108.384 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD11 HG13 ' B' ' 70' ' ' VAL . 87.2 mt -64.36 -42.77 96.03 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.938 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.54 -35.73 78.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.017 -1.052 . . . . 0.0 109.038 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 72' ' ' GLU . 10.2 mt -65.13 -46.35 81.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' CD ' HH21 ' A' ' 79' ' ' ARG . 3.1 tp10 -65.44 -35.02 79.68 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.616 HD23 HD12 ' B' ' 80' ' ' LEU . 18.0 mt -62.57 -55.72 24.62 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.008 -1.057 . . . . 0.0 108.357 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.82 -40.96 66.86 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.573 HH21 ' CD ' ' A' ' 76' ' ' GLU . 5.9 tmm_? -55.23 -52.88 61.96 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.817 HD22 ' ND2' ' B' ' 84' ' ' ASN . 19.0 mt -63.06 -46.39 87.71 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.674 HH11 HD11 ' B' ' 80' ' ' LEU . 0.2 OUTLIER -57.71 -36.6 72.21 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' A' ' 86' ' ' GLN . . . -60.0 -52.12 66.75 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 1.7 mt-10 -63.14 -47.52 82.37 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.465 -0.772 . . . . 0.0 109.492 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.781 ' ND2' HD22 ' B' ' 80' ' ' LEU . 20.1 m-80 -49.16 -53.26 21.81 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD12 ' HB ' ' A' ' 89' ' ' THR . 2.4 tp -57.31 -52.97 63.18 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -53.26 -46.2 69.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.619 -0.676 . . . . 0.0 109.793 -178.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.74 -49.48 30.78 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 121.301 -0.875 . . . . 0.0 109.926 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -46.94 85.73 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.392 -0.817 . . . . 0.0 109.07 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -56.37 -43.92 79.64 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.739 -179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 93' ' ' LEU . 6.5 mm-40 -62.63 -45.6 92.08 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 7.5 t-20 -54.03 -51.45 63.98 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' C ' HE21 ' A' ' 96' ' ' GLN . 1.5 mt-10 -58.56 -40.91 84.41 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.215 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.866 HD23 HE21 ' A' ' 97' ' ' GLN . 5.5 mt -57.6 -39.57 77.15 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.438 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 1.6 t-80 -72.35 -37.26 68.86 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.413 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 3.9 mmt180 -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.505 HE21 ' C ' ' A' ' 92' ' ' GLU . 16.5 mt-30 -85.07 -57.23 3.17 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.582 -0.698 . . . . 0.0 111.558 -174.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.866 HE21 HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -125.65 -110.0 0.31 Allowed 'General case' 0 C--O 1.198 -1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 111.285 -174.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.6 mm-40 30.02 -95.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.999 0.52 . . . . 0.0 111.661 -176.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.42 HH11 ' C ' ' A' ' 98' ' ' GLU . 36.1 mmt-85 -119.18 24.16 10.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.065 -1.022 . . . . 0.0 108.409 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.632 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -59.44 -48.81 95.05 Favored Pre-proline 0 C--N 1.287 -2.135 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 100' ' ' ALA . 7.2 Cg_endo -48.08 42.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.513 2.636 0 C-N-CA 124.243 3.295 . . . . 0.0 115.286 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -80.32 76.21 7.13 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 177.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.51 63.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.934 0.873 . . . . 0.0 110.502 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 102' ' ' LEU . 17.9 mmtp -124.21 -46.84 1.91 Allowed 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.2 t80 62.51 -57.89 0.14 Allowed 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.707 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 104' ' ' LYS . . . 114.53 145.08 8.76 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.185 -2.331 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.108 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 103.648 -3.781 . . . . 0.0 103.648 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.58 158.62 33.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.024 -1.28 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.424 ' SD ' ' N ' ' B' ' 4' ' ' ALA . 0.2 OUTLIER -117.98 128.82 55.16 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' B' ' 3' ' ' MET . . . -133.8 142.57 47.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.88 80.51 0.03 OUTLIER Glycine 0 C--N 1.284 -2.356 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.78 -54.62 44.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.344 -1.092 . . . . 0.0 109.39 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.01 -103.47 0.1 OUTLIER Glycine 0 N--CA 1.494 2.528 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 51.01 -142.98 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -1.136 . . . . 0.0 109.117 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.48 149.61 0.06 Allowed 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.557 0.694 . . . . 0.0 110.454 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.442 ' CE2' ' HG2' ' B' ' 12' ' ' GLN . 5.5 p90 -119.01 121.12 39.17 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.18 109.64 12.47 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.568 -0.708 . . . . 0.0 109.174 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.442 ' HG2' ' CE2' ' B' ' 10' ' ' PHE . 1.5 mm-40 -69.47 166.64 18.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 176.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -155.85 56.16 0.6 Allowed 'General case' 0 C--N 1.287 -2.109 0 O-C-N 121.286 -0.884 . . . . 0.0 108.915 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.33 49.39 0.11 Allowed 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' B' ' 13' ' ' ARG . 29.2 m-85 -93.99 174.32 7.22 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.415 -0.803 . . . . 0.0 109.5 -176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.598 ' C ' ' H ' ' B' ' 18' ' ' THR . 5.9 t -169.19 90.66 0.22 Allowed 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.54 33.8 0.07 Allowed 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 122.331 1.062 . . . . 0.0 108.97 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.598 ' H ' ' C ' ' B' ' 16' ' ' SER . 2.1 p -91.5 81.07 5.38 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 177.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CZ ' ' O ' ' B' ' 16' ' ' SER . 29.0 m-85 -127.63 150.24 49.83 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.47 1.129 . . . . 0.0 111.91 -173.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.36 55.75 0.03 OUTLIER 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' B' ' 24' ' ' THR . 8.4 mmt180 -103.18 150.14 23.96 Favored 'General case' 0 C--N 1.286 -2.178 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.002 -171.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.45 ' C ' ' N ' ' B' ' 24' ' ' THR . 27.1 m-85 -141.53 -116.7 0.12 Allowed 'General case' 0 C--N 1.288 -2.102 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -54.15 -13.87 0.95 Allowed 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 1.007 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -43.37 -24.79 0.11 Allowed 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 124.553 1.141 . . . . 0.0 110.701 176.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 24' ' ' THR . 1.0 OUTLIER -33.88 -61.47 0.35 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -176.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' B' ' 29' ' ' ASN . 0.0 OUTLIER -44.22 -41.79 6.08 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 110.249 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' NE2' ' B' ' 28' ' ' GLN . 25.1 mt -62.77 -45.86 90.74 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.888 -1.132 . . . . 0.0 109.169 177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 1.007 HE22 HG22 ' B' ' 24' ' ' THR . 2.4 mp0 -69.47 -37.04 77.11 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.68 -1.262 . . . . 0.0 109.243 176.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.476 ' HB2' ' HA ' ' B' ' 26' ' ' SER . 3.3 m-80 -63.68 -12.44 34.21 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.915 -0.491 . . . . 0.0 111.283 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.547 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 26.5 mtp -94.58 156.53 16.39 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.18 130.53 35.03 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' B' ' 35' ' ' LEU . 13.4 tttt -37.2 -42.62 0.46 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.928 -0.482 . . . . 0.0 110.803 -175.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -49.91 -38.49 36.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.789 -0.569 . . . . 0.0 110.13 -179.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' B' ' 33' ' ' GLN . 2.7 mt-10 -71.81 -63.1 1.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' B' ' 32' ' ' LYS . 3.5 mt -42.67 -38.08 1.93 Allowed 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.727 HD13 ' HG3' ' A' ' 28' ' ' GLN . 87.4 mt -67.45 -54.93 19.57 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.633 ' HE2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -51.64 -48.58 63.31 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 120.899 -1.126 . . . . 0.0 112.164 177.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.484 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -63.76 -29.88 71.04 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.174 -1.41 . . . . 0.0 110.491 -178.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.7 m-85 -61.32 -40.27 93.61 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.784 -1.198 . . . . 0.0 110.783 175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.633 HD12 ' HE2' ' B' ' 37' ' ' LYS . 4.6 mt -62.23 -49.17 76.83 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 118.443 -1.303 . . . . 0.0 107.829 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 18.9 mm-40 -63.05 -61.1 2.61 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.233 178.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -50.55 -57.88 7.1 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.077 -177.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.11 -51.31 62.3 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.37 -40.97 83.7 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.408 -0.808 . . . . 0.0 109.047 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 56.2 m -59.12 -61.04 2.94 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 46' ' ' LEU . 24.5 tp -55.64 -37.37 68.11 Favored 'General case' 0 C--O 1.189 -2.128 0 O-C-N 121.433 -0.792 . . . . 0.0 109.705 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 11.5 m -62.22 -43.07 99.67 Favored 'General case' 0 C--N 1.285 -2.211 0 O-C-N 121.175 -0.953 . . . . 0.0 109.707 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.494 HH21 ' CD ' ' B' ' 52' ' ' GLU . 0.6 OUTLIER -67.13 -52.56 40.16 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.481 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 29.3 mmm -57.31 -20.52 29.07 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.532 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.468 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 2.2 mm-40 -76.03 -44.4 39.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.56 -52.01 66.19 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.494 ' CD ' HH21 ' B' ' 48' ' ' ARG . 16.7 mm-40 -57.87 -54.33 48.1 Favored 'General case' 0 C--O 1.191 -1.997 0 C-N-CA 119.454 -0.899 . . . . 0.0 108.847 178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.575 ' ND2' HD21 ' A' ' 53' ' ' ASN . 11.7 m-80 -48.81 -48.32 41.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.53 -0.731 . . . . 0.0 110.188 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -60.59 -57.41 12.82 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 55' ' ' ARG . 9.1 mmm180 -61.89 -63.81 1.14 Allowed 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.057 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 56' ' ' LEU . 31.8 mt -36.1 -59.21 0.62 Allowed 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 53' ' ' ASN . 15.9 mtm-85 -60.41 -36.0 77.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -176.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.9 mt -74.42 -38.25 63.12 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.296 -0.877 . . . . 0.0 108.81 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' B' ' 62' ' ' ARG . 1.9 mm-40 -74.35 -67.88 0.58 Allowed 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 8.6 m -34.8 -52.35 0.53 Allowed 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -28.24 65.11 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.543 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 0.0 OUTLIER -96.88 8.88 43.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.626 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . 73.6 mt -118.36 146.04 44.69 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 120.844 -1.16 . . . . 0.0 108.42 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 66' ' ' ASP . . . -141.33 147.84 19.46 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.44 38.25 1.63 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 5.8 m-20 -80.23 -14.53 58.34 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.552 -0.97 . . . . 0.0 109.951 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -43.22 -38.64 2.62 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.747 -0.595 . . . . 0.0 110.274 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.06 59.65 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.093 -1.004 . . . . 0.0 108.433 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -57.97 -46.4 85.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 175.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 73' ' ' LEU . 18.2 t -51.31 -55.77 7.08 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.564 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -42.57 99.2 Favored 'General case' 0 C--N 1.29 -2.01 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.416 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.598 ' HA ' HD12 ' B' ' 75' ' ' LEU . 56.4 mt-10 -62.31 -39.93 94.63 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.119 -1.032 . . . . 0.0 108.422 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 70' ' ' VAL . 92.5 mt -66.45 -42.83 87.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.54 -38.24 86.69 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.096 -1.003 . . . . 0.0 108.41 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' B' ' 72' ' ' GLU . 12.6 mt -62.54 -48.65 78.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.543 ' CD ' HH21 ' B' ' 79' ' ' ARG . 3.8 tp10 -64.54 -35.62 81.57 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.639 HD23 HD12 ' A' ' 80' ' ' LEU . 17.5 mt -62.23 -59.26 5.28 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' B' ' 81' ' ' ARG . 0.6 OUTLIER -52.52 -38.85 60.54 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.427 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.543 HH21 ' CD ' ' B' ' 76' ' ' GLU . 4.3 tmm_? -56.47 -51.05 69.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.781 HD22 ' ND2' ' A' ' 84' ' ' ASN . 16.9 mt -64.5 -45.74 85.99 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.545 HH11 HD11 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -57.53 -36.86 72.13 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.56 -50.73 72.76 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' B' ' 79' ' ' ARG . 2.9 mt-10 -64.48 -48.83 73.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 0.0 109.148 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.817 ' ND2' HD22 ' A' ' 80' ' ' LEU . 14.4 m-80 -48.36 -53.77 16.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.05 -53.85 53.41 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -48.74 58.65 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.476 -0.765 . . . . 0.0 109.705 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.8 -51.04 29.31 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.779 -0.575 . . . . 0.0 110.085 -177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -48.01 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.409 -0.807 . . . . 0.0 109.03 -178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -42.07 75.09 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.928 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.18 -47.4 77.12 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.484 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 8.4 t-20 -51.73 -52.81 45.7 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.7 -40.74 80.2 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.193 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.773 HD23 HE21 ' B' ' 97' ' ' GLN . 2.1 mt -58.06 -40.03 79.97 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' B' ' 94' ' ' HIS . 2.6 t-80 -72.62 -36.03 67.95 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.622 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 13.9 mmt180 -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.38 -48.87 8.6 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.476 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.773 HE21 HD23 ' B' ' 93' ' ' LEU . 1.0 OUTLIER -132.05 -111.1 0.24 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.016 -1.053 . . . . 0.0 111.419 -175.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 97' ' ' GLN . 5.3 mm-40 28.7 -90.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.706 -0.621 . . . . 0.0 112.452 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 97' ' ' GLN . 25.8 mmt-85 -121.17 23.43 10.54 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.035 -1.041 . . . . 0.0 108.988 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' B' ' 102' ' ' LEU . . . -56.37 -51.02 84.26 Favored Pre-proline 0 C--N 1.286 -2.188 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.213 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' B' ' 100' ' ' ALA . 5.2 Cg_endo -46.09 39.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.519 2.977 0 C-N-CA 124.594 3.529 . . . . 0.0 115.771 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.609 ' N ' ' O ' ' B' ' 100' ' ' ALA . 0.5 OUTLIER -81.18 79.76 7.77 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 176.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 53.3 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.056 -1.027 . . . . 0.0 110.425 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' B' ' 102' ' ' LEU . 16.4 mmtp -111.21 -49.05 3.04 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 61.3 t80 65.18 -58.6 0.27 Allowed 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' B' ' 104' ' ' LYS . . . 115.47 139.97 6.95 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.187 -2.186 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.317 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 1 N-CA-C 102.946 -4.062 . . . . 0.0 102.946 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.97 -170.39 0.06 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 mmt -75.76 122.07 23.5 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.76 128.89 37.22 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.41 58.29 15.04 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.49 -157.65 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.23 135.4 3.96 Favored Glycine 0 C--N 1.278 -2.648 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -166.58 89.78 0.38 Allowed 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 160.85 13.79 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.301 -0.874 . . . . 0.0 109.31 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -76.93 149.64 36.0 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -75.46 157.97 33.29 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.33 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -91.92 146.31 23.85 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' NH2' ' OD1' ' A' ' 29' ' ' ASN . 7.3 mmm-85 57.18 -161.45 0.21 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.558 0.694 . . . . 0.0 110.253 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' CG ' HH21 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -136.08 130.02 32.78 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -177.101 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -72.8 66.48 0.76 Allowed 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.6 m -94.74 90.57 6.13 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 26.5 mm-40 -54.71 72.16 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 CA-C-O 121.787 0.803 . . . . 0.0 110.353 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -71.55 178.68 3.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.05 139.5 41.1 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.177 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 3.0 mp0 -80.41 53.92 1.92 Allowed 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -113.38 -170.97 1.79 Allowed 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -66.2 -170.31 0.09 Allowed 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.377 0.608 . . . . 0.0 110.191 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.3 t60 85.12 143.78 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.796 0.808 . . . . 0.0 110.348 177.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.669 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.55 -62.55 1.57 Allowed 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.821 -0.549 . . . . 0.0 110.499 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -37.03 -65.77 0.28 Allowed 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.7 OUTLIER -45.31 -50.61 11.86 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 178.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' B' ' 36' ' ' ILE . 38.8 mt -53.44 -48.5 68.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.697 -0.627 . . . . 0.0 109.648 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.669 ' NE2' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -80.86 -25.24 37.8 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.253 -1.379 . . . . 0.0 110.124 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.533 ' OD1' ' NH2' ' A' ' 13' ' ' ARG . 42.4 m-20 -84.95 1.4 47.54 Favored 'General case' 0 C--N 1.282 -2.351 0 O-C-N 121.067 -1.021 . . . . 0.0 109.591 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.52 ' SD ' ' HB3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -90.77 156.57 17.96 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -88.54 134.09 33.97 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 35' ' ' LEU . 1.1 mtmt -42.75 -42.01 3.39 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 110.351 -177.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 4.6 mp0 -51.4 -35.79 40.66 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.797 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.57 -58.21 3.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.342 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 32' ' ' LYS . 1.1 mt -46.18 -38.61 8.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.822 1.296 . . . . 0.0 108.264 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' B' ' 27' ' ' LEU . 73.8 mt -61.94 -56.14 19.65 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 O-C-N 121.061 -1.024 . . . . 0.0 109.556 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' NZ ' ' O ' ' A' ' 33' ' ' GLN . 2.3 mttm -50.58 -47.13 58.12 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.929 -1.107 . . . . 0.0 109.929 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 3.7 pt-20 -68.74 -32.17 71.75 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 119.004 -1.078 . . . . 0.0 110.932 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CD2' HD22 ' B' ' 27' ' ' LEU . 6.9 m-85 -52.88 -43.37 66.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.667 -1.271 . . . . 0.0 109.435 174.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.76 -47.17 87.52 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -64.64 -63.39 1.14 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.342 -0.943 . . . . 0.0 109.289 178.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -44.17 -54.98 5.14 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.703 0.763 . . . . 0.0 109.071 -178.453 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -50.16 74.4 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.875 -0.515 . . . . 0.0 109.765 -178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -55.56 -42.44 74.68 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 41' ' ' GLU . 24.9 m -63.06 -59.3 4.99 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 109.373 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.1 tp -55.08 -34.2 63.41 Favored 'General case' 0 N--CA 1.514 2.761 0 O-C-N 120.678 -1.264 . . . . 0.0 108.924 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -64.98 -50.87 64.65 Favored 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.097 -1.002 . . . . 0.0 109.235 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 49' ' ' MET . 11.5 ptt85 -62.97 -51.17 67.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.525 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 15.7 mmm -60.16 -25.06 65.23 Favored 'General case' 0 C--O 1.179 -2.635 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.773 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.07 -52.55 18.77 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.174 -0.954 . . . . 0.0 108.625 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 2.2 m-20 -56.19 -46.69 79.31 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' CD ' HH12 ' B' ' 57' ' ' ARG . 6.7 mt-10 -69.25 -48.54 61.56 Favored 'General case' 0 C--O 1.194 -1.858 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.755 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -46.52 -47.56 19.48 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.771 0.796 . . . . 0.0 109.152 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -53.13 -62.78 1.43 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.824 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' LEU . 9.7 mpt_? -59.37 -59.33 5.62 Favored 'General case' 0 C--O 1.194 -1.848 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' B' ' 56' ' ' LEU . 13.5 mt -34.57 -53.84 0.53 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.1 0.476 . . . . 0.0 110.639 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.56 HH22 ' CD ' ' B' ' 52' ' ' GLU . 7.9 mmt180 -56.6 -45.07 81.63 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 55' ' ' ARG . 10.3 mt -67.6 -56.74 8.23 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -49.05 -56.46 8.94 Favored 'General case' 0 C--N 1.288 -2.073 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t -55.19 -45.5 75.84 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.136 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -30.23 28.83 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.956 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -81.73 -1.63 47.74 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.477 -0.765 . . . . 0.0 109.728 -178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' B' ' 63' ' ' LEU . 3.0 mt -86.04 65.07 8.92 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 105.102 -2.185 . . . . 0.0 105.102 170.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -32.35 -69.94 0.12 Allowed Glycine 0 N--CA 1.502 3.097 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.788 -172.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.19 69.87 0.09 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -52.32 -7.13 0.06 Allowed 'General case' 0 C--N 1.28 -2.441 0 O-C-N 121.972 -0.722 . . . . 0.0 112.126 -178.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -26.83 1.27 Allowed 'General case' 0 N--CA 1.51 2.56 0 O-C-N 121.159 -0.963 . . . . 0.0 109.776 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.79 -42.34 50.37 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 tpp180 -59.3 -48.6 81.0 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 174.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' B' ' 73' ' ' LEU . 58.0 t -52.38 -59.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.5 mtm105 -55.66 -39.86 71.47 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.515 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.5 -40.72 97.6 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.416 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' HG13 ' B' ' 70' ' ' VAL . 63.0 mt -67.42 -37.54 83.21 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.038 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -63.05 -52.42 62.86 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 71' ' ' ARG . 2.1 mt -55.06 -42.45 72.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -47.02 85.67 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 176.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD23 HD12 ' B' ' 80' ' ' LEU . 18.2 mt -56.12 -50.23 71.68 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 81' ' ' ARG . 2.2 m-20 -60.44 -35.73 76.53 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.651 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -58.9 -52.05 67.4 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 177.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.528 HD12 HD23 ' B' ' 77' ' ' LEU . 13.6 mt -59.5 -41.21 89.39 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 121.503 -0.748 . . . . 0.0 109.078 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HD2' HH11 ' A' ' 81' ' ' ARG . 1.9 mtp180 -61.52 -36.04 79.4 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.681 -1.262 . . . . 0.0 107.772 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.69 -54.37 47.16 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -56.47 -53.12 61.15 Favored 'General case' 0 C--O 1.197 -1.658 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.523 HD21 ' ND2' ' B' ' 84' ' ' ASN . 31.0 m-80 -50.89 -49.05 60.18 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.656 -0.652 . . . . 0.0 109.437 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.559 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -56.49 -53.9 52.1 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.357 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.6 -49.95 69.22 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.518 0.675 . . . . 0.0 109.658 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' B' ' 87' ' ' LEU . 16.2 mt -65.29 -48.16 74.14 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 121.015 -1.053 . . . . 0.0 110.071 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -62.85 -45.46 92.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.174 -0.954 . . . . 0.0 108.693 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.03 97.63 Favored 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.554 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 93' ' ' LEU . 9.5 mt-10 -62.33 -47.68 83.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.964 -1.085 . . . . 0.0 109.35 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -56.32 -47.12 79.38 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.13 -44.51 83.39 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.553 -0.717 . . . . 0.0 109.245 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.452 ' C ' HE21 ' A' ' 97' ' ' GLN . 50.0 mt -59.98 -24.16 64.2 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 109.121 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' B' ' 94' ' ' HIS . 1.3 t60 -85.25 -46.49 10.98 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.5 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -66.59 -46.93 74.35 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -66.4 -26.8 67.42 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.452 HE21 ' C ' ' A' ' 93' ' ' LEU . 2.1 mp0 -89.09 83.93 6.56 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.033 -1.042 . . . . 0.0 108.709 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -71.39 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.417 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' HE ' ' CD ' ' A' ' 98' ' ' GLU . 7.1 mmt85 -99.39 38.3 1.44 Allowed 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.748 ' H ' ' HD3' ' A' ' 101' ' ' PRO . . . -134.28 -2.04 0.04 OUTLIER Pre-proline 0 C--O 1.194 -1.84 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -175.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.748 ' HD3' ' H ' ' A' ' 100' ' ' ALA . 65.7 Cg_exo -36.56 41.06 0.0 OUTLIER 'Trans proline' 0 N--CA 1.509 2.416 1 C-N-CA 125.329 4.02 . . . . 0.0 118.502 -175.188 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 100' ' ' ALA . 13.3 mt 53.04 -68.25 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.07 0.948 . . . . 0.0 111.881 175.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 101' ' ' PRO . 0.7 OUTLIER -74.01 171.43 13.5 Favored 'General case' 0 C--N 1.282 -2.358 0 O-C-N 121.377 -0.827 . . . . 0.0 109.523 -179.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.534 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER 30.73 52.84 0.14 Allowed 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 123.168 0.587 . . . . 0.0 111.312 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.58 160.52 8.94 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.524 -0.87 . . . . 0.0 109.239 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.9 -175.51 28.12 Favored Glycine 0 C--N 1.282 -2.457 0 N-CA-C 107.543 -2.223 . . . . 0.0 107.543 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.182 -2.464 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.086 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.884 0 N-CA-C 103.844 -3.702 . . . . 0.0 103.844 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.57 176.93 0.76 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.806 -1.408 . . . . 0.0 107.454 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.536 ' SD ' ' N ' ' B' ' 3' ' ' MET . 2.8 mmt -59.53 120.05 8.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.88 136.31 40.13 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.475 -0.766 . . . . 0.0 109.143 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.21 55.17 25.63 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 7' ' ' GLY . 15.1 t0 -85.6 -174.4 5.15 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' B' ' 6' ' ' ASP . . . 97.84 106.36 2.49 Favored Glycine 0 C--N 1.282 -2.437 0 N-CA-C 108.617 -1.793 . . . . 0.0 108.617 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.86 104.61 6.06 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.89 162.52 21.58 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.05 -1.031 . . . . 0.0 109.501 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -78.34 154.91 30.42 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.596 HD22 ' C ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -80.81 154.59 27.08 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -87.42 145.69 26.18 Favored 'General case' 0 C--N 1.282 -2.333 0 O-C-N 121.397 -0.814 . . . . 0.0 109.899 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.535 HH21 ' CG ' ' B' ' 14' ' ' ASP . 6.3 mmm-85 57.21 -156.35 0.31 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.619 -0.676 . . . . 0.0 110.243 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.535 ' CG ' HH21 ' B' ' 13' ' ' ARG . 0.5 OUTLIER -143.05 126.99 17.27 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.021 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.66 60.18 0.15 Allowed 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.521 ' O ' ' N ' ' B' ' 18' ' ' THR . 15.7 m -86.82 89.13 7.86 Favored 'General case' 0 C--N 1.286 -2.168 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' B' ' 17' ' ' GLU . 9.7 mm-40 -52.96 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.521 ' N ' ' O ' ' B' ' 16' ' ' SER . 0.8 OUTLIER -85.04 172.41 11.31 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.11 142.92 3.39 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 118.985 -1.086 . . . . 0.0 109.219 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' SD ' ' B' ' 30' ' ' MET . 4.4 mp0 -82.5 49.88 1.54 Allowed 'General case' 0 C--N 1.258 -3.38 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.51 -171.36 1.82 Allowed 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.726 -0.609 . . . . 0.0 109.402 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -169.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.816 -0.552 . . . . 0.0 110.579 -178.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' B' ' 25' ' ' GLU . 7.3 t60 81.54 144.14 0.08 Allowed 'General case' 0 N--CA 1.507 2.422 0 CA-C-O 121.51 0.671 . . . . 0.0 110.253 178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.724 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.3 OUTLIER -52.7 -63.86 1.01 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.87 -0.519 . . . . 0.0 110.593 -175.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.0 OUTLIER -34.92 -65.0 0.23 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.499 -0.751 . . . . 0.0 109.541 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -48.99 19.63 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.954 -0.466 . . . . 0.0 110.07 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.494 ' HB3' HG12 ' A' ' 36' ' ' ILE . 22.2 mt -54.26 -48.68 70.92 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.598 -0.688 . . . . 0.0 109.171 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.724 ' NE2' HG22 ' B' ' 24' ' ' THR . 0.0 OUTLIER -80.38 -23.15 40.64 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 117.991 -1.483 . . . . 0.0 110.023 -178.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.51 ' OD1' ' NH2' ' B' ' 13' ' ' ARG . 44.9 m-20 -87.86 1.71 53.29 Favored 'General case' 0 C--N 1.285 -2.235 0 O-C-N 121.01 -1.056 . . . . 0.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.473 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -89.77 157.61 17.87 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.39 132.22 34.53 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -43.32 -41.74 4.19 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.679 -0.638 . . . . 0.0 110.414 -176.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 7.8 mp0 -51.98 -33.75 39.34 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -80.83 -59.11 2.8 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.397 -0.814 . . . . 0.0 109.195 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' B' ' 32' ' ' LYS . 1.2 mt -45.15 -40.29 6.93 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 122.968 1.366 . . . . 0.0 108.378 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.502 HG21 HE22 ' A' ' 28' ' ' GLN . 75.3 mt -60.31 -54.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.508 0 O-C-N 120.935 -1.103 . . . . 0.0 109.618 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 33' ' ' GLN . 2.0 mttm -52.55 -47.51 66.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.801 -1.187 . . . . 0.0 110.425 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.4 -32.97 74.23 Favored 'General case' 0 C--O 1.199 -1.591 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.358 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 6.3 m-85 -52.48 -45.64 66.24 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.908 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.75 -43.34 94.32 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.7 -62.95 1.19 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.271 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.574 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -46.7 -55.51 7.64 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-O 121.701 0.762 . . . . 0.0 109.125 -178.15 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 1.0 OUTLIER -58.12 -50.97 71.62 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -55.52 -44.9 77.09 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 33.6 m -61.27 -58.0 10.08 Favored 'General case' 0 C--O 1.193 -1.878 0 O-C-N 121.67 -0.644 . . . . 0.0 109.321 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 46' ' ' LEU . 15.1 tp -56.32 -34.43 66.54 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 120.584 -1.322 . . . . 0.0 108.944 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.2 m -62.86 -52.07 64.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.92 -1.113 . . . . 0.0 109.039 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.542 ' CG ' ' N ' ' B' ' 49' ' ' MET . 13.0 ptt85 -62.83 -51.12 68.28 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.542 ' N ' ' CG ' ' B' ' 48' ' ' ARG . 17.0 mmm -59.96 -25.33 65.12 Favored 'General case' 0 C--O 1.178 -2.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.577 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -69.67 -50.66 41.79 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.139 -0.975 . . . . 0.0 108.741 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.878 -0.514 . . . . 0.0 110.01 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.56 ' CD ' HH22 ' A' ' 57' ' ' ARG . 13.3 mt-10 -69.61 -47.8 62.23 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.65 -47.73 29.15 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.6 -61.99 1.91 Allowed 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.067 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.569 ' HA ' HD12 ' B' ' 58' ' ' LEU . 9.5 mpt_? -60.94 -59.26 5.65 Favored 'General case' 0 C--O 1.186 -2.242 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 56' ' ' LEU . 17.5 mt -34.83 -52.36 0.53 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.956 0.408 . . . . 0.0 110.671 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.529 HH12 ' CD ' ' A' ' 52' ' ' GLU . 7.5 mmt180 -56.25 -49.11 75.12 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' B' ' 55' ' ' ARG . 8.3 mt -65.31 -56.75 10.91 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.446 ' O ' HD12 ' B' ' 63' ' ' LEU . 97.4 mt-10 -48.77 -55.36 11.73 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -55.04 -52.52 62.91 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -36.75 60.95 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.98 -1.488 . . . . 0.0 109.731 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -76.18 2.47 13.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.567 -0.708 . . . . 0.0 109.763 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 63' ' ' LEU . 2.1 mt -91.33 69.1 5.97 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.06 -71.11 0.24 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' ASP . . . 156.44 -44.96 0.52 Allowed Glycine 0 C--N 1.288 -2.128 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' B' ' 69' ' ' ARG . 0.2 OUTLIER 63.26 -16.82 0.06 Allowed 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.56 -0.964 . . . . 0.0 111.289 -178.143 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' GLY . 0.0 OUTLIER -51.66 -26.36 8.93 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.841 -1.162 . . . . 0.0 109.177 178.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NH2' ' B' ' 71' ' ' ARG . . . -74.3 -37.05 63.75 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.3 tpp180 -63.42 -49.38 73.95 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' A' ' 73' ' ' LEU . 58.2 t -51.96 -58.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.666 ' O ' HD12 ' B' ' 75' ' ' LEU . 3.1 mtm105 -57.57 -40.5 79.1 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.315 -177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -62.38 -36.52 82.54 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.061 -1.024 . . . . 0.0 108.559 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 70' ' ' VAL . 73.1 mt -72.14 -37.13 69.5 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.52 -48.32 80.06 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.666 HD12 ' O ' ' B' ' 71' ' ' ARG . 2.2 mt -59.55 -44.44 93.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.47 -47.3 86.74 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 80' ' ' LEU . 18.2 mt -55.07 -52.54 62.89 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 108.737 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' B' ' 81' ' ' ARG . 3.4 m-20 -55.6 -40.27 71.83 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.628 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' B' ' 79' ' ' ARG . 0.0 OUTLIER -59.16 -50.93 72.15 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 77' ' ' LEU . 13.2 mt -58.83 -40.81 85.29 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.339 -0.851 . . . . 0.0 108.841 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 78' ' ' ASP . 1.5 mtp85 -63.4 -35.8 81.62 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 108.204 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.0 -52.54 64.94 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.6 -53.77 53.75 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.523 ' ND2' HD21 ' A' ' 84' ' ' ASN . 17.3 m-80 -50.17 -48.08 54.17 Favored 'General case' 0 C--O 1.196 -1.75 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 85' ' ' LEU . 1.1 tp -56.72 -53.36 58.67 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -57.59 -53.26 60.15 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 121.611 0.72 . . . . 0.0 109.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 18.0 mt -59.76 -49.01 79.39 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 121.469 -0.77 . . . . 0.0 110.121 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.86 -48.73 75.55 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -40.64 88.85 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.864 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.98 -41.86 95.05 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.935 -1.103 . . . . 0.0 108.602 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -61.26 -46.25 91.13 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 6.1 mt-10 -54.78 -47.99 73.26 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.91 -29.09 64.82 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.464 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.498 ' CD2' ' CD2' ' A' ' 94' ' ' HIS . 1.4 t60 -81.9 -44.06 17.31 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 118.657 -1.217 . . . . 0.0 108.719 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.24 -46.29 67.67 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-O 121.897 0.856 . . . . 0.0 109.54 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 34.4 mt-30 -64.88 -43.38 93.1 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.48 90.23 1.31 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.337 -0.852 . . . . 0.0 109.57 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.449 ' CD ' ' HE ' ' B' ' 99' ' ' ARG . 0.1 OUTLIER -77.88 -81.97 0.09 Allowed 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.449 ' HE ' ' CD ' ' B' ' 98' ' ' GLU . 8.0 mmt85 -100.17 34.91 2.2 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.079 -1.013 . . . . 0.0 108.537 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.705 ' N ' ' CD ' ' B' ' 101' ' ' PRO . . . -129.59 -2.44 0.04 OUTLIER Pre-proline 0 C--O 1.187 -2.215 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' B' ' 100' ' ' ALA . 43.3 Cg_exo -35.98 37.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.513 2.623 0 C-N-CA 125.222 3.948 . . . . 0.0 119.275 -175.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.654 ' N ' ' O ' ' B' ' 100' ' ' ALA . 24.1 mt 55.98 -63.38 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.853 0 O-C-N 120.974 -1.079 . . . . 0.0 112.039 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.568 ' N ' ' O ' ' B' ' 101' ' ' PRO . 9.9 m -80.34 171.74 14.67 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 121.331 -0.855 . . . . 0.0 108.728 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.524 ' O ' ' NZ ' ' B' ' 104' ' ' LYS . 0.0 OUTLIER 30.1 57.12 0.19 Allowed 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 120.965 0.412 . . . . 0.0 110.835 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.1 145.7 53.17 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.58 167.21 16.12 Favored Glycine 0 C--N 1.277 -2.696 0 N-CA-C 106.453 -2.659 . . . . 0.0 106.453 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.193 -1.899 0 CA-C-N 118.806 1.303 . . . . 0.0 109.222 -178.25 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.695 ' HA2' ' O ' ' B' ' 4' ' ' ALA . . . . . . . . 0 N--CA 1.472 1.036 1 N-CA-C 102.917 -4.073 . . . . 0.0 102.917 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' ALA . . . 61.68 -148.65 0.4 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.833 -0.804 . . . . 0.0 109.347 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm 62.29 -67.38 0.07 Allowed 'General case' 0 N--CA 1.51 2.57 0 O-C-N 121.583 -0.698 . . . . 0.0 109.225 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.55 ' O ' ' HA2' ' B' ' 1' ' ' GLY . . . -75.11 -5.84 46.38 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.61 173.64 34.36 Favored Glycine 0 C--N 1.286 -2.226 0 N-CA-C 105.804 -2.918 . . . . 0.0 105.804 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -121.8 163.0 19.87 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 118.859 1.33 . . . . 0.0 108.815 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -67.27 -61.59 5.02 Favored Glycine 0 N--CA 1.486 1.979 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m 59.96 -48.14 0.09 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 122.321 -0.517 . . . . 0.0 111.472 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' GLY . 34.7 mt-10 -73.93 73.45 1.64 Allowed 'General case' 0 C--N 1.287 -2.139 0 O-C-N 120.964 -1.085 . . . . 0.0 109.569 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -87.95 153.38 21.35 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mp -149.25 113.27 5.16 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.37 -58.23 4.27 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' NH2' ' OG ' ' B' ' 31' ' ' SER . 9.2 mtm180 -99.02 140.74 32.72 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 171.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.31 172.14 7.5 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.232 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.29 166.27 14.27 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -164.07 128.17 2.68 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 120.468 -1.395 . . . . 0.0 109.63 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.59 52.98 2.0 Allowed 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.59 98.97 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.202 -0.937 . . . . 0.0 109.579 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.555 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 6.4 p90 -71.85 -160.12 0.06 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 120.845 -1.159 . . . . 0.0 109.932 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 34.99 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 C-N-CA 123.923 0.889 . . . . 0.0 112.341 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.555 ' NH1' ' O ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -76.32 -176.58 3.68 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -75.66 -148.72 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -57.4 -16.21 8.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 173.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.92 HG22 HE22 ' A' ' 28' ' ' GLN . 0.2 OUTLIER -46.69 -35.99 6.64 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 123.708 0.803 . . . . 0.0 111.543 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -34.12 -66.79 0.15 Allowed 'General case' 0 N--CA 1.512 2.632 0 O-C-N 121.298 -0.876 . . . . 0.0 110.618 -176.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -35.46 2.01 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.92 -0.487 . . . . 0.0 110.976 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' B' ' 39' ' ' TYR . 77.0 mt -64.37 -44.04 92.62 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.468 -1.395 . . . . 0.0 108.394 177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.92 HE22 HG22 ' A' ' 24' ' ' THR . 3.5 mp0 -75.75 -38.64 58.23 Favored 'General case' 0 C--N 1.289 -2.041 0 O-C-N 121.25 -0.906 . . . . 0.0 109.382 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' GLU . 55.4 m-20 -77.6 -5.07 48.99 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 110.677 -174.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.459 ' O ' ' NZ ' ' B' ' 32' ' ' LYS . 34.1 mtp -91.9 155.58 18.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.986 -1.071 . . . . 0.0 108.631 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.633 ' OG ' ' NH2' ' B' ' 13' ' ' ARG . 1.2 m -88.9 152.54 21.67 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -50.04 -42.52 49.77 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 111.037 -174.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -55.36 -45.3 76.49 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 108.741 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 31' ' ' SER . 19.2 mt-10 -64.25 -50.31 68.46 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 32' ' ' LYS . 20.5 mt -56.27 -40.7 74.66 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 122.041 0.924 . . . . 0.0 108.728 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD13 ' HG3' ' B' ' 28' ' ' GLN . 62.9 mt -69.63 -47.49 70.9 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.13 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.77 -52.69 64.03 Favored 'General case' 0 C--N 1.287 -2.143 0 O-C-N 121.467 -0.77 . . . . 0.0 111.252 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 1.3 pt-20 -64.82 -23.63 67.3 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 116.892 -1.923 . . . . 0.0 109.53 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 3.7 m-85 -60.08 -42.68 95.12 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.258 -0.901 . . . . 0.0 110.293 170.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD21 HG23 ' B' ' 24' ' ' THR . 10.6 mt -60.48 -32.93 71.89 Favored 'General case' 0 C--N 1.281 -2.371 0 C-N-CA 118.403 -1.319 . . . . 0.0 108.156 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -77.25 -62.19 1.74 Allowed 'General case' 0 C--N 1.292 -1.93 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.853 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' B' ' 42' ' ' LEU . 0.1 OUTLIER -51.72 -52.54 47.67 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.952 0.882 . . . . 0.0 108.822 -177.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -60.0 -56.38 22.43 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 -178.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' NZ ' ' OE1' ' A' ' 43' ' ' GLU . 2.2 mmpp? -57.06 -38.82 73.79 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.983 -1.073 . . . . 0.0 108.714 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -59.6 -59.2 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' B' ' 49' ' ' MET . 18.7 tp -58.35 -34.78 71.04 Favored 'General case' 0 C--O 1.184 -2.38 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.316 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 m -64.89 -54.71 26.6 Favored 'General case' 0 C--N 1.285 -2.217 0 O-C-N 121.188 -0.945 . . . . 0.0 109.076 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -57.7 -46.26 84.6 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.761 -1.212 . . . . 0.0 108.293 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.729 ' SD ' HD11 ' B' ' 46' ' ' LEU . 80.8 mtp -68.77 -13.87 62.67 Favored 'General case' 0 C--O 1.179 -2.62 0 O-C-N 121.578 -0.702 . . . . 0.0 109.977 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.54 -46.2 20.06 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.532 -1.355 . . . . 0.0 107.788 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -57.73 -47.05 83.54 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.62 -52.02 49.76 Favored 'General case' 0 C--O 1.185 -2.339 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.41 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.685 HD21 HD21 ' B' ' 53' ' ' ASN . 2.6 m-80 -51.11 -42.66 60.82 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.784 -176.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -53.51 -53.87 45.27 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HE ' ' HB3' ' A' ' 55' ' ' ARG . 9.3 mmm180 -64.24 -65.49 0.67 Allowed 'General case' 0 C--O 1.188 -2.138 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.3 mt -34.52 -53.2 0.52 Allowed 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 122.888 0.475 . . . . 0.0 110.99 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -64.49 -51.76 61.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.733 -0.604 . . . . 0.0 109.739 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 mt -61.55 -32.85 72.94 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -76.82 -70.71 0.44 Allowed 'General case' 0 C--N 1.255 -3.539 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 p -40.35 -52.62 2.69 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.142 0.496 . . . . 0.0 111.634 -177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.91 39.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.542 -0.724 . . . . 0.0 110.288 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -122.57 25.99 8.52 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 13.7 mt -127.35 157.96 38.55 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 122.06 0.933 . . . . 0.0 110.298 -175.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' B' ' 64' ' ' GLY . . . -152.73 -106.12 0.29 Allowed Glycine 0 C--N 1.283 -2.368 0 N-CA-C 106.596 -2.602 . . . . 0.0 106.596 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 66' ' ' ASP . . . 164.95 -149.87 17.1 Favored Glycine 0 C--N 1.277 -2.727 0 N-CA-C 105.444 -3.062 . . . . 0.0 105.444 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' HB3' HG21 ' B' ' 70' ' ' VAL . 0.2 OUTLIER 78.68 -8.64 1.62 Allowed 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 118.398 1.099 . . . . 0.0 113.603 175.053 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.45 -32.38 17.76 Favored 'General case' 0 N--CA 1.532 3.663 0 O-C-N 120.355 -1.466 . . . . 0.0 109.823 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.34 -27.95 61.79 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.44 HH21 ' CG ' ' A' ' 66' ' ' ASP . 4.1 tpp180 -68.26 -48.0 66.23 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' B' ' 73' ' ' LEU . 51.5 t -49.87 -53.94 9.05 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.51 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -56.51 -48.25 77.6 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 75' ' ' LEU . 7.3 mt-10 -58.39 -41.07 84.06 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.572 ' CD1' HG13 ' B' ' 70' ' ' VAL . 91.6 mt -66.89 -39.77 87.55 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.592 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.79 -49.53 77.34 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.0 mt -57.64 -41.06 80.62 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -64.68 -42.78 95.11 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.37 -0.831 . . . . 0.0 108.838 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD23 HD12 ' B' ' 80' ' ' LEU . 23.9 mt -62.58 -47.86 81.97 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 109.191 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.72 -42.1 78.61 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.32 -48.57 69.89 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.609 HD12 HD23 ' B' ' 77' ' ' LEU . 9.5 mt -56.86 -42.87 80.53 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.6 -40.89 96.41 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.96 80.02 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -52.4 62.8 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' ND2' ' B' ' 84' ' ' ASN . 13.0 m-80 -47.99 -51.83 22.28 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -53.74 -53.33 53.75 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -60.55 -36.93 79.66 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -177.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.547 HD22 ' HG ' ' B' ' 88' ' ' LEU . 18.2 mt -75.78 -47.62 25.09 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.167 -0.958 . . . . 0.0 109.333 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -61.81 -46.37 89.78 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -56.66 -39.98 74.7 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.601 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 93' ' ' LEU . 21.1 mt-10 -70.16 -37.95 75.33 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 120.905 -1.122 . . . . 0.0 109.134 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -61.86 -46.62 88.64 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.8 mt-10 -49.11 -52.09 28.1 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 90' ' ' GLU . 30.5 mt -54.87 -25.13 26.74 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.11 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.495 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 0.8 OUTLIER -86.63 -52.3 5.63 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 118.355 -1.338 . . . . 0.0 108.7 175.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.509 HH21 ' CD ' ' B' ' 90' ' ' GLU . 30.1 mtt180 -69.39 -43.37 73.65 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.986 -0.446 . . . . 0.0 111.504 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.469 ' O ' ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -67.28 -39.02 85.99 Favored 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -177.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.664 HE22 HD23 ' A' ' 93' ' ' LEU . 18.0 mp0 -79.3 25.3 0.31 Allowed 'General case' 0 C--N 1.281 -2.394 0 O-C-N 121.539 -0.726 . . . . 0.0 110.287 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' ALA . 5.4 mm-40 -96.4 -158.88 0.69 Allowed 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 174.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.482 HH22 ' CD ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -69.62 50.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.114 -0.991 . . . . 0.0 108.925 177.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.799 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -103.8 -70.34 0.03 OUTLIER Pre-proline 0 C--N 1.3 -1.563 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.799 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 1.3 Cg_endo -46.12 118.02 2.2 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 C-N-CA 122.307 2.005 . . . . 0.0 110.318 175.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 6.6 mt -48.17 -31.75 6.12 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.536 -0.728 . . . . 0.0 109.796 -177.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -21.0 62.41 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 121.543 -0.723 . . . . 0.0 109.802 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -100.28 40.57 1.24 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.958 -1.089 . . . . 0.0 108.62 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -62.76 163.77 8.84 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.22 106.05 1.03 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 108.274 -1.931 . . . . 0.0 108.274 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 C--O 1.199 -1.604 0 O-C-N 122.027 -0.69 . . . . 0.0 110.038 -178.212 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . 0 CA--C 1.535 1.282 1 N-CA-C 102.594 -4.202 . . . . 0.0 102.594 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' B' ' 4' ' ' ALA . . . 55.61 -153.88 0.32 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.36 -1.082 . . . . 0.0 109.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 65.49 -69.15 0.11 Allowed 'General case' 0 N--CA 1.509 2.476 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 -177.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.695 ' O ' ' HA2' ' A' ' 1' ' ' GLY . . . -70.39 -7.09 40.34 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.95 172.44 38.1 Favored Glycine 0 C--N 1.292 -1.903 0 N-CA-C 106.333 -2.707 . . . . 0.0 106.333 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -119.2 159.79 23.37 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 118.477 1.139 . . . . 0.0 109.066 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' B' ' 9' ' ' GLU . . . -67.26 -57.21 9.65 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 107.466 -2.253 . . . . 0.0 107.466 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m 60.52 -49.55 0.1 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.972 -0.722 . . . . 0.0 111.643 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 7' ' ' GLY . 16.2 mt-10 -70.87 78.88 0.63 Allowed 'General case' 0 C--N 1.295 -1.767 0 O-C-N 120.831 -1.168 . . . . 0.0 109.703 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -93.07 151.05 20.1 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 ' HD1' ' B' ' 15' ' ' PHE . 4.3 mp -144.05 117.97 9.38 Favored 'General case' 0 C--N 1.29 -1.987 0 O-C-N 121.485 -0.759 . . . . 0.0 109.904 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.33 -48.53 27.66 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.633 ' NH2' ' OG ' ' A' ' 31' ' ' SER . 3.5 mtm180 -110.33 146.81 35.1 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -72.5 159.15 34.4 Favored 'General case' 0 C--N 1.289 -2.044 0 C-N-CA 119.051 -1.059 . . . . 0.0 109.742 -177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.503 ' HD1' HD23 ' B' ' 11' ' ' LEU . 7.2 m-85 -113.34 135.8 53.46 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.78 129.68 24.78 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.337 -0.945 . . . . 0.0 110.631 -175.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.67 56.53 2.67 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.67 104.04 0.25 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.157 -0.965 . . . . 0.0 108.626 -177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.586 ' O ' ' NH1' ' B' ' 21' ' ' ARG . 6.8 p90 -78.21 -160.72 0.22 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.611 -0.68 . . . . 0.0 110.066 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.421 ' N ' ' CD2' ' B' ' 19' ' ' TYR . 7.0 pt-20 34.87 38.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 123.805 0.842 . . . . 0.0 112.186 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 19' ' ' TYR . 0.2 OUTLIER -79.17 178.71 7.85 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.405 ' C ' ' N ' ' B' ' 24' ' ' THR . 2.0 m-85 -72.88 -154.12 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 174.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -18.8 1.43 Allowed 'General case' 0 N--CA 1.515 2.822 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 173.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.935 HG22 HE22 ' B' ' 28' ' ' GLN . 0.2 OUTLIER -45.79 -34.69 3.85 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.277 178.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 24' ' ' THR . 0.4 OUTLIER -33.97 -66.98 0.14 Allowed 'General case' 0 N--CA 1.515 2.796 0 O-C-N 121.266 -0.896 . . . . 0.0 110.422 -175.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.3 m -45.81 -33.34 3.06 Favored 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.787 -0.571 . . . . 0.0 111.458 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 39' ' ' TYR . 76.5 mt -64.97 -46.32 81.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.693 -1.254 . . . . 0.0 108.15 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.935 HE22 HG22 ' B' ' 24' ' ' THR . 2.8 mp0 -70.95 -39.55 72.53 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.856 -1.153 . . . . 0.0 109.184 174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' B' ' 25' ' ' GLU . 34.4 m-20 -78.37 -8.48 58.49 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.073 -1.017 . . . . 0.0 111.194 -173.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.483 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . 33.0 mtp -88.82 156.1 19.15 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.737 -1.227 . . . . 0.0 109.057 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.611 ' OG ' ' NH2' ' A' ' 13' ' ' ARG . 3.8 m -88.78 150.82 22.75 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -50.58 -42.12 55.28 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 110.967 -173.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -55.67 -43.34 76.25 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.254 -0.904 . . . . 0.0 108.6 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' B' ' 31' ' ' SER . 33.9 mt-10 -64.55 -54.5 31.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 32' ' ' LYS . 17.5 mt -52.09 -41.46 62.44 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-O 122.014 0.911 . . . . 0.0 109.004 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.75 HD13 ' HG3' ' A' ' 28' ' ' GLN . 54.2 mt -70.07 -46.74 71.67 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.031 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -177.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -61.8 -50.41 72.44 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.448 -0.782 . . . . 0.0 111.419 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 1.7 pt-20 -67.12 -22.91 65.77 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 116.677 -2.009 . . . . 0.0 109.006 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.6 m-85 -59.96 -43.71 94.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.408 -0.807 . . . . 0.0 110.526 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.495 HD21 HG23 ' A' ' 24' ' ' THR . 10.2 mt -59.85 -35.42 74.73 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.156 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.21 -61.42 1.95 Allowed 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.145 -1.022 . . . . 0.0 109.139 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.34 -54.01 24.71 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.902 0.858 . . . . 0.0 108.864 -178.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' NZ ' ' B' ' 44' ' ' LYS . 0.5 OUTLIER -58.14 -57.96 10.54 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.412 -178.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.467 ' NZ ' ' OE1' ' B' ' 43' ' ' GLU . 2.8 mmpp? -55.94 -39.95 72.47 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 109.325 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.6 m -59.04 -56.4 22.71 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.729 HD11 ' SD ' ' A' ' 49' ' ' MET . 17.7 tp -59.64 -34.5 72.88 Favored 'General case' 0 C--O 1.182 -2.451 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.072 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -62.73 -53.03 60.54 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.118 -0.988 . . . . 0.0 109.042 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -62.55 -45.64 92.0 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.686 ' SD ' HD11 ' A' ' 46' ' ' LEU . 79.8 mtp -69.01 -15.08 63.39 Favored 'General case' 0 C--O 1.175 -2.857 0 O-C-N 121.899 -0.501 . . . . 0.0 110.122 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -76.59 -48.79 18.06 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.491 -1.381 . . . . 0.0 107.769 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -55.47 -49.37 72.67 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.93 -51.0 64.24 Favored 'General case' 0 C--O 1.186 -2.266 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.685 HD21 HD21 ' A' ' 53' ' ' ASN . 2.5 m-80 -52.66 -43.11 65.29 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.432 -0.793 . . . . 0.0 109.606 -177.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.55 -54.64 34.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' B' ' 56' ' ' LEU . 6.8 mmm180 -63.05 -63.37 1.22 Allowed 'General case' 0 C--O 1.185 -2.324 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -34.88 -54.55 0.57 Allowed 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 122.94 0.496 . . . . 0.0 110.98 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.35 -51.64 62.33 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' B' ' 62' ' ' ARG . 40.7 mt -61.49 -34.24 75.15 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.5 -0.75 . . . . 0.0 109.21 -177.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.17 -70.48 0.41 Allowed 'General case' 0 C--N 1.254 -3.584 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 13.8 p -38.25 -60.13 0.81 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.344 0.592 . . . . 0.0 111.46 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -23.36 64.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 110.286 -176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' B' ' 58' ' ' LEU . 3.9 mtp-105 -105.61 23.99 12.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.89 -0.506 . . . . 0.0 109.713 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 25.7 mt -123.82 163.67 20.75 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 121.798 0.809 . . . . 0.0 110.541 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' GLY . . . -147.02 -111.1 0.65 Allowed Glycine 0 N--CA 1.501 2.988 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.408 ' N ' ' N ' ' A' ' 65' ' ' GLY . . . 144.81 88.42 0.09 OUTLIER Glycine 0 N--CA 1.514 3.9 0 O-C-N 119.811 -1.994 . . . . 0.0 109.209 175.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -158.82 1.45 0.09 Allowed 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.764 -0.844 . . . . 0.0 109.026 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.39 -31.94 6.88 Favored 'General case' 0 N--CA 1.519 2.976 0 CA-C-O 122.004 0.907 . . . . 0.0 110.729 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.64 -29.59 62.43 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' B' ' 66' ' ' ASP . 3.0 tpp180 -67.71 -47.07 70.4 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 73' ' ' LEU . 49.1 t -52.04 -57.68 3.4 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -52.0 -46.6 64.98 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-O 121.425 0.631 . . . . 0.0 109.657 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' B' ' 75' ' ' LEU . 6.2 mt-10 -60.38 -38.93 85.48 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.944 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.561 ' CD1' HG13 ' A' ' 70' ' ' VAL . 84.7 mt -70.14 -37.05 75.18 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.833 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.31 -50.27 74.29 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 72' ' ' GLU . 5.7 mt -58.41 -39.25 79.21 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.04 -47.83 76.0 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 80' ' ' LEU . 26.5 mt -58.19 -48.44 80.32 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.14 -43.72 70.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.715 -0.794 . . . . 0.0 109.602 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -65.82 -45.97 80.32 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.56 HD12 HD23 ' A' ' 77' ' ' LEU . 8.9 mt -58.66 -42.52 88.58 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -61.51 -39.05 89.57 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -53.76 53.48 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 87' ' ' LEU . 0.3 OUTLIER -54.97 -56.0 24.5 Favored 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' ND2' ' A' ' 84' ' ' ASN . 25.7 m-80 -47.85 -50.97 24.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.754 -0.591 . . . . 0.0 109.672 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.519 ' O ' HD12 ' B' ' 85' ' ' LEU . 0.3 OUTLIER -55.37 -52.29 64.01 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . 0.434 ' O ' HG22 ' B' ' 89' ' ' THR . 0.0 OUTLIER -59.51 -36.09 75.41 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.541 -0.724 . . . . 0.0 109.878 -178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.525 HD22 ' HG ' ' A' ' 88' ' ' LEU . 18.3 mt -76.79 -47.19 22.35 Favored 'General case' 0 C--N 1.286 -2.173 0 O-C-N 120.973 -1.08 . . . . 0.0 109.296 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.547 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.02 -46.3 88.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.27 -0.894 . . . . 0.0 108.623 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.434 HG22 ' O ' ' B' ' 86' ' ' GLN . 0.7 OUTLIER -55.08 -40.91 70.92 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.085 178.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.737 ' HA ' HD12 ' B' ' 93' ' ' LEU . 23.4 mt-10 -69.51 -40.7 76.79 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.237 -0.915 . . . . 0.0 109.851 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.474 ' OD1' ' NE ' ' B' ' 95' ' ' ARG . 6.2 t-20 -60.48 -46.3 90.58 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' B' ' 96' ' ' GLN . 3.8 mt-10 -51.56 -50.43 60.1 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 90' ' ' GLU . 31.8 mt -53.94 -24.85 17.85 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.002 -178.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . 0.471 ' HD1' ' C ' ' B' ' 94' ' ' HIS . 0.5 OUTLIER -86.21 -54.45 4.45 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.52 -1.272 . . . . 0.0 108.085 175.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.474 ' NE ' ' OD1' ' B' ' 91' ' ' ASN . 46.1 mtt180 -67.85 -51.87 43.33 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.622 . . . . 0.0 111.372 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.467 ' NE2' HE22 ' B' ' 97' ' ' GLN . 0.3 OUTLIER -58.85 -32.92 69.86 Favored 'General case' 0 C--N 1.279 -2.462 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -176.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.682 HE22 HD23 ' B' ' 93' ' ' LEU . 16.3 mp0 -86.02 16.67 4.03 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 121.861 -0.524 . . . . 0.0 110.213 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 100' ' ' ALA . 5.3 mm-40 -88.29 -158.18 0.46 Allowed 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 175.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 53.73 0.07 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.028 -1.045 . . . . 0.0 109.065 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.779 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -107.54 -69.58 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.768 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.779 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 1.7 Cg_endo -47.08 117.48 2.23 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 122.145 1.897 . . . . 0.0 110.163 174.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 8.8 mt -45.99 -37.85 7.06 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.462 -0.774 . . . . 0.0 109.397 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -26.56 68.22 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.584 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -94.22 41.82 1.09 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.863 -1.148 . . . . 0.0 108.106 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -61.62 171.41 1.54 Allowed 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 108.45 2.48 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.197 -1.693 0 O-C-N 121.941 -0.74 . . . . 0.0 109.646 -178.436 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 1 N-CA-C 102.904 -4.078 . . . . 0.0 102.904 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.25 -77.27 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -1.195 . . . . 0.0 108.215 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' B' ' 3' ' ' MET . 0.0 OUTLIER -153.59 159.7 42.22 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 148.78 39.28 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.28 94.56 0.54 Allowed Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -143.07 -59.97 0.43 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.76 103.09 0.19 Allowed Glycine 0 C--N 1.28 -2.542 0 N-CA-C 106.431 -2.667 . . . . 0.0 106.431 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -68.71 0.15 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.295 -1.121 . . . . 0.0 109.857 -173.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -95.39 177.7 5.75 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -110.47 151.28 27.73 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.01 131.47 35.18 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.3 78.56 0.54 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.705 0.764 . . . . 0.0 110.108 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -90.56 -160.1 0.68 Allowed 'General case' 0 C--N 1.264 -3.132 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 175.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 45.22 51.05 9.43 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 17' ' ' GLU . 1.1 m-85 -56.37 87.37 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.712 -0.617 . . . . 0.0 109.606 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.66 19.07 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 O-C-N 120.921 -1.112 . . . . 0.0 112.191 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' TYR . 2.5 mt-10 -70.79 89.46 0.76 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.91 70.3 0.14 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.3 -0.875 . . . . 0.0 109.385 -175.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' GLU . 31.6 m-85 -114.66 148.87 37.58 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.646 -0.658 . . . . 0.0 109.246 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' C ' ' HE ' ' A' ' 21' ' ' ARG . 36.2 mt-10 -143.45 76.33 1.51 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 175.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' HIS . 1.6 mmp_? -120.64 146.3 46.53 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -68.12 44.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.796 0.808 . . . . 0.0 109.269 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 21' ' ' ARG . 2.7 m-70 -114.73 177.97 4.45 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.807 HG22 ' NE2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -72.27 -48.4 42.78 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 24' ' ' THR . 5.4 mt-10 -34.5 -67.9 0.13 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.969 -0.457 . . . . 0.0 111.004 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' MET . 0.8 OUTLIER -42.71 -40.32 2.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 110.284 -176.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' HG12 ' B' ' 36' ' ' ILE . 85.8 mt -64.61 -46.07 84.22 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 120.855 -1.153 . . . . 0.0 109.245 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.807 ' NE2' HG22 ' A' ' 24' ' ' THR . 3.4 mp0 -68.93 -37.3 78.81 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.829 -1.169 . . . . 0.0 109.469 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -74.22 -9.15 58.32 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.147 -174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.51 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 2.7 mtm -88.25 163.94 15.86 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 156.21 19.1 Favored 'General case' 0 C--N 1.278 -2.514 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.37 -47.08 76.34 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 110.05 -176.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.085 -1.009 . . . . 0.0 110.548 -177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.6 mm-40 -64.07 -52.03 61.24 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' O ' ' OH ' ' B' ' 39' ' ' TYR . 18.0 mt -55.11 -39.11 69.0 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.622 HD13 ' HG3' ' B' ' 28' ' ' GLN . 77.5 mt -69.77 -47.46 70.2 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -56.19 -48.15 76.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.339 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' B' ' 39' ' ' TYR . 9.5 pt-20 -63.65 -28.28 69.8 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.607 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' B' ' 39' ' ' TYR . 2.9 m-85 -60.31 -43.11 96.65 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.63 -1.294 . . . . 0.0 110.797 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.17 -40.35 81.23 Favored 'General case' 0 C--N 1.281 -2.396 0 C-N-CA 118.402 -1.319 . . . . 0.0 109.027 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.72 -60.09 2.44 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.097 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' B' ' 42' ' ' LEU . 0.2 OUTLIER -46.59 -54.46 9.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.789 0.804 . . . . 0.0 109.152 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.21 -58.2 8.67 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.91 -43.72 91.14 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -174.003 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.1 m -54.65 -56.36 19.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.24 -36.78 76.08 Favored 'General case' 0 C--O 1.175 -2.819 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.596 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -63.25 -47.65 81.52 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 121.056 -1.028 . . . . 0.0 108.54 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -46.24 90.68 Favored 'General case' 0 C--N 1.286 -2.162 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.593 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.1 mmm -66.29 -22.89 66.31 Favored 'General case' 0 C--O 1.162 -3.511 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.8 -50.33 36.79 Favored 'General case' 0 C--N 1.286 -2.189 0 O-C-N 120.155 -1.591 . . . . 0.0 107.799 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' CB ' HH12 ' A' ' 55' ' ' ARG . 1.6 m-20 -59.15 -46.8 87.44 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.34 -31.77 71.41 Favored 'General case' 0 C--O 1.178 -2.663 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.758 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.71 HD21 ' ND2' ' B' ' 53' ' ' ASN . 2.2 m-80 -77.06 -42.56 37.85 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 121.219 -0.925 . . . . 0.0 109.182 -176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -55.1 -48.52 73.49 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 HH12 ' CB ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -67.65 -65.42 0.69 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 56' ' ' LEU . 15.7 mt -35.65 -52.76 0.69 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 122.144 -0.348 . . . . 0.0 111.03 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -59.28 -50.55 73.57 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.83 -52.1 64.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -54.7 40.04 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 120.814 -1.179 . . . . 0.0 109.007 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 p -56.11 -52.81 62.96 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.637 -0.664 . . . . 0.0 111.185 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -19.57 62.59 Favored 'General case' 0 N--CA 1.5 2.057 0 C-N-CA 118.465 -1.294 . . . . 0.0 109.505 -176.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -100.37 12.39 37.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.007 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 14.5 mt -107.51 85.64 2.16 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 173.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' ASP . . . -64.84 138.54 39.87 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.14 61.24 1.41 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 70' ' ' VAL . 35.1 m-20 -57.45 -9.19 0.99 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 122.14 -0.623 . . . . 0.0 110.924 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -51.19 -27.7 9.51 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.61 -39.68 62.01 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.51 ' HB3' HG22 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -57.47 -52.18 66.45 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 173.431 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.647 HG13 HD11 ' B' ' 73' ' ' LEU . 48.2 t -49.86 -49.66 20.27 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 71' ' ' ARG . 12.5 ttm180 -60.66 -47.27 87.0 Favored 'General case' 0 C--N 1.28 -2.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.92 -177.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HA ' HD12 ' A' ' 75' ' ' LEU . 51.9 mt-10 -60.9 -41.79 96.74 Favored 'General case' 0 C--N 1.291 -1.943 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.254 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.635 HD11 HG13 ' B' ' 70' ' ' VAL . 81.4 mt -65.73 -39.61 91.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.316 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.76 -49.62 77.02 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 72' ' ' GLU . 7.7 mt -59.1 -35.78 74.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.545 ' CD ' HH22 ' A' ' 79' ' ' ARG . 28.6 tp10 -67.95 -45.66 73.6 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.646 HD23 HD12 ' B' ' 80' ' ' LEU . 28.3 mt -63.92 -35.67 81.41 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -61.85 -48.03 82.37 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.545 HH22 ' CD ' ' A' ' 76' ' ' GLU . 1.9 ttp85 -58.06 -55.81 30.07 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.722 HD12 HD23 ' B' ' 77' ' ' LEU . 10.3 mt -53.29 -42.63 66.78 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 78' ' ' ASP . 9.8 mtp180 -64.67 -38.03 89.59 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 79' ' ' ARG . . . -59.5 -49.58 77.22 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -55.75 28.15 Favored 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.463 HD21 ' ND2' ' B' ' 84' ' ' ASN . 15.7 m-80 -45.42 -49.52 13.23 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.7 tp -57.54 -53.12 61.71 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -53.53 -41.29 66.24 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.913 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.644 HD22 ' HG ' ' B' ' 88' ' ' LEU . 12.5 mt -76.82 -45.77 27.34 Favored 'General case' 0 C--N 1.282 -2.359 0 O-C-N 121.17 -0.956 . . . . 0.0 109.971 -175.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.615 ' HG ' HD22 ' B' ' 87' ' ' LEU . 0.3 OUTLIER -66.2 -41.85 89.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.214 -0.929 . . . . 0.0 108.517 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -58.75 -38.22 77.95 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.473 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 93' ' ' LEU . 1.1 mt-10 -71.6 -41.36 69.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.224 -0.922 . . . . 0.0 108.789 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -58.16 -46.91 84.89 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 89' ' ' THR . 18.3 mt-10 -50.64 -47.18 58.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 173.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 90' ' ' GLU . 1.9 mt -58.96 -57.69 11.94 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.157 -1.017 . . . . 0.0 108.996 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -54.14 -40.67 67.64 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 118.413 -1.315 . . . . 0.0 109.957 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -74.11 -42.07 60.63 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.446 -0.784 . . . . 0.0 109.396 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.98 -21.47 40.29 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 121.229 -0.919 . . . . 0.0 109.762 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.505 ' O ' ' C ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -76.97 -49.09 16.26 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.271 -0.893 . . . . 0.0 109.612 -176.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 97' ' ' GLN . 0.6 OUTLIER 17.41 -88.54 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 121.337 0.589 . . . . 0.0 111.344 179.046 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' CA ' ' NE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -127.57 37.49 4.21 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.524 ' HB3' ' CD ' ' A' ' 101' ' ' PRO . . . -62.11 -58.5 17.26 Favored Pre-proline 0 C--N 1.297 -1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 108.92 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.524 ' CD ' ' HB3' ' A' ' 100' ' ' ALA . 6.1 Cg_exo -38.47 117.54 0.29 Allowed 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.096 2.531 . . . . 0.0 111.324 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.72 122.27 3.59 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.432 -0.793 . . . . 0.0 109.172 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -50.41 129.74 22.36 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.64 48.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.167 -0.958 . . . . 0.0 109.123 -178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 p90 179.72 169.31 1.16 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -59.03 4.45 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 107.963 -2.055 . . . . 0.0 107.963 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.187 -2.218 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 1 N-CA-C 102.919 -4.072 . . . . 0.0 102.919 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.62 -104.57 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.518 ' SD ' ' SD ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -133.94 147.58 51.08 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.502 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.26 19.39 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.098 -1.001 . . . . 0.0 108.311 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.75 66.48 0.57 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.99 -61.02 1.68 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.36 101.42 0.18 Allowed Glycine 0 C--N 1.284 -2.35 0 N-CA-C 105.891 -2.883 . . . . 0.0 105.891 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -55.74 18.92 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.288 -1.125 . . . . 0.0 110.734 -173.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.77 160.97 16.81 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -97.8 147.29 24.54 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' ' HD3' ' B' ' 13' ' ' ARG . 10.9 mp -79.31 129.27 34.3 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.97 73.82 0.44 Allowed 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.607 0.717 . . . . 0.0 110.487 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.506 ' CZ ' ' HB2' ' B' ' 13' ' ' ARG . 0.4 OUTLIER -85.39 -167.34 1.8 Allowed 'General case' 0 C--N 1.266 -3.053 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 175.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' B' ' 16' ' ' SER . 27.7 t70 51.79 47.68 24.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.258 -0.902 . . . . 0.0 108.795 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.525 ' C ' ' H ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -50.67 88.0 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -178.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.505 ' N ' ' O ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER -70.39 30.42 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.219 0 O-C-N 121.204 -0.935 . . . . 0.0 110.113 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -78.05 86.75 4.21 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.13 75.54 0.05 Allowed 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -176.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' B' ' 17' ' ' GLU . 47.9 m-85 -124.68 145.71 49.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -140.07 80.8 1.78 Allowed 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' HIS . 0.2 OUTLIER -127.71 145.55 50.86 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -177.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.474 ' C ' ' HD1' ' B' ' 23' ' ' HIS . 20.1 p90 -68.35 55.07 0.08 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' ARG . 3.3 m-70 -126.38 157.15 39.24 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.789 HG22 ' NE2' ' B' ' 28' ' ' GLN . 0.2 OUTLIER -56.71 -47.1 80.68 Favored 'General case' 0 C--N 1.271 -2.839 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.369 -178.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' B' ' 24' ' ' THR . 6.5 mt-10 -34.31 -68.97 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 122.208 -0.308 . . . . 0.0 111.174 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' B' ' 30' ' ' MET . 0.7 OUTLIER -43.19 -39.26 2.83 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.797 -0.564 . . . . 0.0 110.391 -176.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' HG12 ' A' ' 36' ' ' ILE . 86.2 mt -65.58 -45.62 82.58 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.846 -1.158 . . . . 0.0 109.424 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.789 ' NE2' HG22 ' B' ' 24' ' ' THR . 5.6 mp0 -70.25 -36.28 74.36 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.665 -1.272 . . . . 0.0 109.491 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -76.1 -6.01 49.18 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.552 -0.859 . . . . 0.0 110.872 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.461 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 1.8 mtm -89.43 166.04 13.96 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 156.65 18.98 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -56.8 -44.56 82.08 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.21 -0.931 . . . . 0.0 109.495 -177.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -54.81 -43.5 72.97 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.28 -0.888 . . . . 0.0 110.666 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 1.5 mm-40 -64.97 -59.23 4.39 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.431 HD11 ' HE2' ' A' ' 32' ' ' LYS . 18.2 mt -45.93 -37.81 6.84 Favored 'General case' 0 N--CA 1.507 2.398 0 CA-C-O 121.964 0.888 . . . . 0.0 109.029 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.608 HD13 HE21 ' A' ' 28' ' ' GLN . 87.8 mt -72.28 -47.26 53.95 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.303 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -56.76 -46.77 81.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.507 -0.746 . . . . 0.0 109.3 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' OH ' ' A' ' 39' ' ' TYR . 4.3 pt-20 -64.68 -30.32 71.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.677 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.601 ' CE2' ' CE2' ' A' ' 39' ' ' TYR . 3.5 m-85 -59.21 -42.53 91.16 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.783 -1.198 . . . . 0.0 111.049 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.78 -42.49 89.1 Favored 'General case' 0 C--N 1.281 -2.401 0 C-N-CA 118.466 -1.293 . . . . 0.0 109.12 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 45' ' ' CYS . 1.2 mt-10 -74.03 -57.9 3.66 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.399 -1.32 . . . . 0.0 109.221 177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -47.28 -54.2 11.54 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.662 0.744 . . . . 0.0 109.261 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 22.2 mt-10 -55.31 -58.36 8.01 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.557 ' HD3' ' N ' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -57.71 -39.77 78.02 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -174.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 41' ' ' GLU . 80.7 m -56.74 -57.82 10.76 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.478 HD11 ' HE2' ' A' ' 49' ' ' MET . 15.2 tp -59.84 -36.77 77.53 Favored 'General case' 0 C--O 1.188 -2.162 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.024 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.13 -47.7 83.41 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -50.38 71.57 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . 0.608 ' O ' ' ND2' ' B' ' 53' ' ' ASN . 14.2 mmm -62.22 -20.25 64.0 Favored 'General case' 0 C--O 1.161 -3.602 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.14 -49.77 18.45 Favored 'General case' 0 C--N 1.278 -2.53 0 O-C-N 120.467 -1.396 . . . . 0.0 108.083 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.509 ' CB ' HH12 ' B' ' 55' ' ' ARG . 1.1 m-20 -56.8 -47.27 80.59 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.516 -0.74 . . . . 0.0 109.652 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.95 -53.91 27.1 Favored 'General case' 0 C--O 1.173 -2.926 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.421 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' A' ' 53' ' ' ASN . 6.4 m-80 -50.22 -44.13 53.1 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.426 -0.796 . . . . 0.0 109.646 -177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -57.79 -54.39 47.49 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.584 0.706 . . . . 0.0 109.221 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.509 HH12 ' CB ' ' B' ' 51' ' ' ASP . 0.4 OUTLIER -76.73 -8.77 57.93 Favored 'General case' 0 C--O 1.197 -1.68 0 O-C-N 121.547 -0.72 . . . . 0.0 110.025 -178.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 56' ' ' LEU . 12.2 mt -85.32 -50.88 6.98 Favored 'General case' 0 C--N 1.272 -2.788 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -58.67 -49.28 78.12 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.5 -52.36 63.77 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.4 OUTLIER -57.84 -55.27 37.09 Favored 'General case' 0 C--N 1.282 -2.329 0 O-C-N 120.841 -1.162 . . . . 0.0 108.894 179.373 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 3.8 p -52.6 -54.48 32.5 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.149 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -29.96 69.52 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 118.214 -1.394 . . . . 0.0 109.76 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 62' ' ' ARG . 27.5 mtp180 -93.75 14.58 18.79 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.456 -0.778 . . . . 0.0 109.77 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 10.9 mt -104.56 76.59 1.31 Allowed 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 175.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 66' ' ' ASP . . . -54.13 134.77 44.5 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.69 58.12 1.3 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 106.825 -2.51 . . . . 0.0 106.825 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.522 ' CG ' HH21 ' B' ' 69' ' ' ARG . 48.2 m-20 -58.5 -9.31 1.56 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.785 -0.832 . . . . 0.0 110.671 -175.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.18 -29.14 12.98 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.38 -37.64 60.45 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.522 HH21 ' CG ' ' B' ' 66' ' ' ASP . 0.0 OUTLIER -57.65 -52.24 66.25 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.044 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 73' ' ' LEU . 48.2 t -50.59 -53.49 12.69 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.504 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -56.38 -46.92 79.86 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.769 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' B' ' 75' ' ' LEU . 32.9 mt-10 -62.03 -41.93 98.62 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.152 -1.019 . . . . 0.0 108.774 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 70' ' ' VAL . 83.1 mt -66.28 -37.69 86.02 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 119.539 -0.865 . . . . 0.0 109.208 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.85 -47.07 84.98 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 72' ' ' GLU . 9.0 mt -61.22 -35.69 77.91 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.41 ' CD ' HH22 ' B' ' 79' ' ' ARG . 33.8 tp10 -66.97 -45.2 78.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 80' ' ' LEU . 19.7 mt -63.89 -36.08 82.76 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.595 ' HA ' ' CZ ' ' B' ' 81' ' ' ARG . 0.5 OUTLIER -62.47 -44.89 95.3 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.41 HH22 ' CD ' ' B' ' 76' ' ' GLU . 2.8 ttp85 -60.8 -57.19 13.7 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.646 HD12 HD23 ' A' ' 77' ' ' LEU . 9.8 mt -52.51 -42.36 64.25 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.546 -0.722 . . . . 0.0 109.535 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.595 ' CZ ' ' HA ' ' B' ' 78' ' ' ASP . 8.5 mtp180 -65.24 -37.16 86.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 79' ' ' ARG . . . -60.46 -52.84 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -53.36 58.68 Favored 'General case' 0 C--O 1.201 -1.466 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.463 ' ND2' HD21 ' A' ' 84' ' ' ASN . 10.3 m-80 -47.83 -49.68 28.45 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' B' ' 89' ' ' THR . 1.2 tp -57.3 -55.96 28.03 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -51.9 -41.38 61.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.57 -0.706 . . . . 0.0 109.959 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.615 HD22 ' HG ' ' A' ' 88' ' ' LEU . 12.3 mt -76.6 -46.69 25.05 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 121.311 -0.868 . . . . 0.0 110.191 -176.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HG ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -64.78 -42.35 95.15 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.21 -0.931 . . . . 0.0 108.572 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 85' ' ' LEU . 0.5 OUTLIER -59.05 -38.32 79.11 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 178.288 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -69.02 -40.79 78.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.913 175.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . 0.408 ' OD1' ' NH1' ' B' ' 95' ' ' ARG . 6.5 t-20 -60.03 -46.8 88.33 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.435 ' HB3' ' NE2' ' B' ' 96' ' ' GLN . 33.2 mt-10 -50.95 -47.83 61.03 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 173.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' B' ' 90' ' ' GLU . 4.1 mt -57.13 -57.32 13.1 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.905 -1.118 . . . . 0.0 109.186 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -55.37 -40.38 71.24 Favored 'General case' 0 C--N 1.279 -2.483 0 C-N-CA 118.746 -1.182 . . . . 0.0 110.024 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 91' ' ' ASN . 4.7 mmt85 -75.53 -40.88 56.32 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 121.419 -0.801 . . . . 0.0 109.501 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' B' ' 92' ' ' GLU . 26.7 mt-30 -81.3 -23.43 37.87 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.586 -0.696 . . . . 0.0 110.07 -176.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' B' ' 93' ' ' LEU . 0.1 OUTLIER -77.18 -45.73 25.67 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.081 -1.012 . . . . 0.0 109.666 -176.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' B' ' 97' ' ' GLN . 0.0 OUTLIER 15.03 -85.65 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.343 0 C-N-CA 123.079 0.552 . . . . 0.0 111.432 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.424 ' CA ' ' NE ' ' B' ' 99' ' ' ARG . 0.0 OUTLIER -128.75 36.12 4.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.508 ' HB3' ' CD ' ' B' ' 101' ' ' PRO . . . -64.01 -58.45 14.48 Favored Pre-proline 0 C--N 1.298 -1.658 0 O-C-N 121.417 -0.802 . . . . 0.0 109.206 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' B' ' 100' ' ' ALA . 5.7 Cg_exo -39.78 122.83 1.09 Allowed 'Trans proline' 0 N--CA 1.481 0.752 0 C-N-CA 122.31 2.006 . . . . 0.0 110.572 178.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.88 124.16 7.04 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.78 . . . . 0.0 109.134 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 105' ' ' PHE . 0.3 OUTLIER -52.09 123.55 10.8 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -65.92 42.62 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.166 -0.959 . . . . 0.0 110.183 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' B' ' 103' ' ' SER . 17.1 p90 -171.01 176.6 3.98 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.14 -74.19 0.73 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.173 -2.961 0 O-C-N 121.352 -1.087 . . . . 0.0 108.445 177.362 . . . . . . . . 0 0 . 1 stop_ save_